View of "Side by Side," 2011. Right: Mirosław Bałka, St. Adalbert, 1987.
This exhibition, a collaboration between the Royal Castle in Warsaw and the Martin-Gropius-Bau in Berlin, studies the dazzling cultural ties forged between Poland and Germany through over seven hundred works of art produced in the past one thousand years. The first room of the show presents objects from the eleventh century, an era that marked the beginning of the neighborly relations between the two countries. Here, the focal point is the martyrdom of Saint Adalbert, a Czech Christian missionary who was killed in 997 by the Baltic Prussians. Otto III, the king of Germany, visited Saint Adalbert's grave in the year 1000, and then founded an independent Christian metropolis in Gniezno, Poland. The doors of a cathedral in that city are decorated with figural scenes from Saint Adalbert's life. An installation inspired by this story is found in Mirosław Bałka's work in this room: St. Adalbert, 1987. The juxtaposition of historical and contemporary works encourages critical reading of the images.
Consequently, a section of the show that explores World War II stresses the ambiguity of photography. We see how the medium was deployed as a tool to classify Auschwitz's prisoners. However, as Władysław Strzemiński's 1945 series "To My Friends the Jews" shows, it has also served the victims of the Holocaust as a way to reflect and respond. Gerhard Richter refers to this ambivalence in a section from his Atlas titled Reichstag, 1997–98, where he transforms images of Nazi crimes into the German flag.
Curator Anda Rottenberg also presents a smart selection of video and film pieces including Królik po berlińsku (The Rabbit à la Berlin), 2009, by Piotr Konopka, which portrays the postwar history of the Potsdamer Platz via the story of rabbits that lived in the space between the two layers of the Berlin Wall until 1989. Rottenberg's interest in the power of the individual is also evident throughout the show. A section devoted to the cold war highlights initiatives by Joseph Beuys, Jürgen Blum (Gerard Kwiatkowski), and Elisabeth Jappe. Their works could be considered among the foundation of artists' solidarity and gestures of resistance, a notion recently challenged by the Martin-Gropius-Bau's decision to remove Artur Żmijewski's work Berek/Game of Tag, 1999, from the show in response to the allegations of anti-Semitism from a prominent member of Berlin's Jewish community. According to media sources, the artist and curator of the show did not participate in decision-making process.


As the book, "Home Decorating for Dummies" says, Color is a magic wand-it can create optical illusions, alter moods and reflect your personality.
A color is generally never presented alone-it is always viewed with other colors in the sight range. So you always have to consider how a color looks and works next to other colors—your color scheme.
Since grade school you have heard of the primary colors of red, yellow, blue & the secondary colors of orange, green and violet. All other colors are mixtures of these.
The cool colors of green and blue create a feeling of calmness but can be emotionally distant. The warm colors of red and yellow create a feeling of excitement and friendliness.
Generally your color scheme will use: The main color on the walls, floor and ceiling. The secondary color in the furniture, upholstery and window treatments. And the tertiary color on your accent pieces, art,and molding.


Looking for Invisalign Teen in Gallatin? For an appointment at Gallatin Dental Care call our office today at 615-452-2191 or make an appointment today.
Speak to your dentist at Gallatin Dental Care to determine if Invisalign Teen is a good option for the teen in your family. Call us at 615-452-2191.


text:
Q: Esper: detect event start only I'm new to Esper (NEsper, actually) and I've been trying (unsuccesfully) to create an statement to detect when an event starts.
For example, suppose I have an event type called "Started betting" and I want to consider it is happening after 10 minutes of having "proof" of that. With what I've been using as the statement, after 10 minutes the update() method is triggered every time there is "proof".
I've tried something like
from (...), StartedBetting as st
where st is null AND (...)

but didn't work (event was never detected).
Hope I've made myself clear.
Any hints will be appreciated.

A: So if I understand you right, when receiving any start-betting event you simply want to delay for 10 minutes and then get called? The "proof" part is not clear. But this would do it:
select * from pattern [every StartBetting -> timer:interval(10 min)]

redpajama_set_name: RedPajamaStackExchange


text:
Through MSE Assistance and Supporting SDGs, Pertamina Encourages Food Security and Renewable Energy from the Livestock Sector
Jakarta, June 20, 2021 - PT Pertamina (Persero), through the MSE Funding Program, has fostered tens of thousands of micro and small enterprises (MSEs) from various sectors. One of them is the livestock industry. Some of Pertamina's partners in this sector have become strategic business opportunities in Indonesia on a large scale.
Acting Senior Vice President of Corporate Communications & Investor Relations of Pertamina, Fajriyah Usman, explained Pertamina had fostered more than 4,400 MSEs in the livestock sector. Not only cattle, but also chicken, duck, goat, and other potential livestock farms. Several Pertamina's partners in the livestock sector are also developing utilization of cow dung into biogas and electricity.
"Pertamina provides business capital loans to a farmer group consisting of 206 members across Kutai Kartanegara, West Kutai, East Kutai, Samarinda, Paser, and Balikpapan, where the group is a partner of the Salama Jaya Berkah Cooperative (BSJ). In addition, they also provide guidance and assistance so that their business continues to grow," she added.
The utilization of cattle dung is then processed into biogas to be distributed to people's homes and used for the daily needs of the residents of Tani Bakti Village, Loa Janan District, Kutai Kartanegara Regency.
In addition, there is a cattle farm in Glagaharjo Village, Cangkringan District, Sleman Regency. The village became the forerunner for more than 500 cattle farmers and has produced 8,400 liters of cow's milk per day, which is supplied to several large dairy industry companies in Indonesia.
Behind the success of Glagaharjo village to become the largest milk-producing center, there is one inspirational figure who becomes the driving force for other breeders. He is a veterinarian who was born and raised in a local area named Daud Suroto. The 54-year-old man admitted that he had been trying to develop a Glagaharjo cow milk center since 1993.
"Previously, cattle ranchers only depended on selling beef cattle for their income, even though these sales were seasonal, such as during the festival of sacrifice or Eid al-Adha. Because of that, I invite them to switch to being a cow's milk farmer," said Daud, who is also the recipient of the 2020 Local Hero Award from Pertamina.
According to Fajriyah, through the MSE Funding Program, Pertamina wants to provide energy that can move the economy--energy that fuels and energy that produces sustainable growth.
Pertamina also supports SDGs (Sustainable Development Goals) point 8 achievements through implementing ESG (Environmental, Social, and Governance)-based programs in all of its operational areas. It is part of the environmental and social responsibility to realize economic benefits in the community.**

redpajama_set_name: RedPajamaCommonCrawl


text:
the shifting interests of Collin David Anderson.
Impediments to Ubiquitous, Free Computing
PDF Version Scribd Link
Collin Anderson, Tom Stokke
University of North Dakota
While the Free/Open Source Software movement has been significantly concerned with user-accessibility and compatibility in order to compete with commercial applications, little progress has been made in the widespread adoption of the products of this philosophy by the average user. The Kiwi Project, a student organization located at the University of North Dakota, has sought to improve access to technology by distributing modern computers to socially-disadvantaged communities. This paper will argue, within the context of the project's experiences, that the largest impediments to widespread adoption of these projects may be nontechnical problems of an organizational and sociological origin. Additionally, we will examine areas in which alternative software fails to meet the expectations of our target demographic. Finally, we will encompass this discussion around the use of such efforts as an extension of the computer science curriculum to create awareness within the student body of the social implications of technological development.
Divisions in Access
Often the societal implications of technological progress are lost in computer science and information systems educations in favor of theoretical concepts of the profession and its material application. In part, this is likely because the impact of computing and information access on areas such as the political process and economic welfare seem to be abstractions compared to the tangible principles of programming or the rigor of mathematics. On the part of students, it is easy to fail to appreciate these implications as they appear only tenuously linked to professional goals or affected populations. In doing so, they have taken a passive role in the most important issues of their profession, the socioeconomic and political definition of proliferation of the Internet and technology. In spite of this lack of concern, or perhaps to counteract it, there appears to be a common understanding on the part of computer science departments that there exists a meaningful sociological component to the field that warrants exploration. What often remains is a confusion on the part of faculty on how to bridge these subjects to motivate class interests.
Technical education and creating a social awareness amongst students need not be mutually exclusive; nor must we assume that shortcomings in programs are the result of an intrinsic dispassion afflicting the major. Despite the current cognitive disconnect between computer science students and the computing ecology, university departments are privileged in a manner that upstart non-profit groups and student organizations are not. Concerned departments are capable of providing the nominal services of office space, name credibility, 501(c)(3) status and academic incentives in exchange for the extraction of exponentially greater utility. In its role as an incubator of ideas, a university stands to gain from experimentation in such matters. By creating outlets in which students can apply their diverse array of technical knowledge and interests, programs can introduce these same sociological concepts in a form that is pertinent and creates a lasting interest in participants.
The concept of the Kiwi Project at the University of North Dakota is largely a result of two interested individuals, but it was the embrace of the forward-thinking Computer Science department which enabled it to succeed. One facet of the group's mission is to promote the adoption of open-source software and Creative Commons material on campus by calling attention to its existence, making it available and supporting its use. The more visible role, recycling old computers with Linux into low-income, and otherwise disadvantaged, households, is not new. In Portland, Oregon an organization called "Free Geek," which the project is based on, has had measurable and sustainable success in this effort. However, the Kiwi Project has developed not only as a resource mobilization project, but an effort containing non-partisan, political ramifications with the hope of bridging gaps in socioeconomic development and legislative inclusion by increasing access to communications technology and freely-licensed media.
We know extensively that, contrary to some lofty predictions[], the domestic use of technology has not proliferated flatly across all social and racial strata. Much has been said about the digital divide in terms of age, but not enough has been done within the United States about socioeconomic divisions in technological access. While the allegory of the rising tide raising all ships alludes to some enablement of lower classes, the bulk of any political or economic mobilization that has come about as a result of technology has been and will likely continue to be focused on the educated, middle class and youth. Since, historically, disenfranchisement and a state of arrested development disproportionately perpetuates in those alienated from the political system, without a concerted effort to incorporate those classes into the benefits of modernity, concepts such as enablement, otherwise known as `emergent democracy,'[] are meaningless and only perpetuate fragments of the antiquated social structure.
Certainly, that the elderly report to have never used a computer 45% more often than the aggregate[] should be of concern to the goal of creating an inclusive Internet, but its lifestyle implications are not extremely severe to the group or the encompassing society. The vast majority of the American population has access to a computer and access to the Internet (75% & 74%, respectively). From there, they routinely take advantage of services such as email and the well of information on topics ranging from entertainment and sports to news and academics. They also begin to acquire the job skills that are necessary for a modern business environment, specifically the use of office applications. Contrapositively, those segments of society left out of technological education are likely, absent these modern prerequisites, to have a hard time finding employment that can significantly improve their socioeconomic position. From this scenario, it is clear that we should gravely fear a paradigm where technological integration into society perpetuates socioeconomic division instead of fulfilling its promise of ameliorating it.
Statistics that illustrate that non-Asian minorities are 15% less likely to have used a computer than their peers foreshadow potential complications. Racial minorities are not the only social groups at risk. Our particular concern is the extent to which access and marketable technical skills drop as income and education levels decrease. While there is a deficiency of data at the income levels associated with Kiwi clients, it is clear from existing work that when moving towards the poverty threshold, use of the Internet drops much more substantially than delineations based on ethnicity. Examining our core audience, we can delineate two demographics, low-income adults who need to acquire marketable job skills and children that need to acquire the ability to learn with computers and fulfill the expectations of school. Those that cannot immediately afford a computer are stuck with poor options, the most frequent in our user group being rental companies that predatorily charge multitudes more than the computer's real value. Alternatively, public access computers, while generally free, create obvious issues of privacy, rationed access, limited availability and an unfriendly environment for training. Neither of these common solutions address the underlying issue in a manner that is both financially and operationally sustainable.
In this demographic sense, the problems concerning the Kiwi Project are classic social issues of income equality and meritocracy, for which mature governmental and non-governmental organizations already exist. It should not be incumbent on concerned efforts to reinvent a distribution network. As computer scientists, we are generally not well-equipped to tailor programs to the greatest social benefit, as opposed to relying on the expertise of partnerships with groups like low-income housing associations. One such example of leveraging institutions is our continued relationship with the LaGrave Learning Center, a public job training and housing group, to distribute computers based on a reward system that encouraged clients to participate in job training and community events.
Shifting Expectations
The evolution of the Kiwi Project has wholly been a product of its successes and its shortcomings, while a bulk of the effort has been merely matters of delegation and managing expectations. As a result, the technical aspect that exists is often relatively minor and straightforward. This is beneficial because the project is less likely to be held hostage by deficiencies in knowledge on particular topics. Instead of teaching procedural, or specific job skills, such efforts teach the abilities of critical thinking and being responsive to one's environment that are the traits of a successful computer scientist.
The difference between causes of adaptation, due to technical versus operational reasons, has been evident in the fluctuation of the output of the organization. After a time, it became necessary to establish a baseline of minimum requirement for accepting donated hardware. While the public is very willing to give, it often does so when their computers have lost value according to their own perceptions, which is generally far beyond reality. This can lead to a surplus of unusable, old computers and create a glut on daily operations. Any nascent program will understandably have low expectations, however business and educational relationships, which have come with even minor success, progressively moved our standards incrementally higher. Moreover, when managing expectations it has been necessary to focus attention to overarching issues raised by actual users. As computer enthusiasts, overly-involved solutions to minor problems, such as maintaining alternative repositories to install additional software like a customized dock and webmail applications, seem attractive areas of experimentation and curiosity. As this came to be understood, the software involvement of the Kiwi Project devolved immensely from a heavily customized suite of tailored applications to a fairly vanilla operating system installation. For the most part, we found existing solutions to be adequate enough for end-users considering the potential for over-complication. These issues were heavily rooted in concepts of management, not hardware.
On the computer science side of operations, there is no other option feasible for projects such as Kiwi than the Linux operating system. Its liberal licensing and freedom of distribution are the philosophical root of the effort. While commercial competitors often offer their software for free to our client organizations, user-agreements and restrictions are burdensome to the ability of similar groups to operate. Furthermore, this offer is artificially based on business interest and not reflective of any market advantage for the end-user. Although we have consistently relied on the various flavors of Ubuntu for its focus on creating a distribution that would appeal to a wide audience and its high hardware compatibility, our standard set of applications have significantly changed along the shifts in our baseline and increase in user input. It seems evident that the popularity of Ubuntu is not going to ebb like past Linux fads, as it has found a substantial place in its environment. Initially, accommodating slower memory and lower processing capacity meant using the minimalist XFCE interface of Xubuntu with all effects and unnecessary services turned off. With more modern computers we could spend less of an effort on making sure that a select group of applications ran in favor of wide compatibility. We then moved to the suite of Gnome applications that comes with the mainline Ubuntu and then to the Kubuntu distribution based on KDE for accessibility reasons.
Historically speaking, the growth of Kiwi has been simple and linear, in line with the progression of increasing power available. The project has grown in a short time frame from its initial batch of ten year-old, Celeron desktops running XFCE desktop environment with 192 MB of memory and eight gigabyte hard drives to a minimum baseline of at least a late model Pentium 4 or PowerPC G4 (or comparable). The growth was quick, by being able to present concrete results the project proved itself to administrators and organizations and a new level of resources was opened. This initial period is not without its merits and lessons. One lesson learned from infancy was chiefly that memory is the point of highest return in terms of investing in speed and usability. By increasing memory and cutting less-useful services, we were able to extend these first computers' usefulness. Remarkably, such a lesson is still valuable due to constraints in our supply that have pushed down our current baseline to 256 MB of memory (which will run a computer sustainably if somewhat less smoothly, although 384 MB or more is desirable).
Limitations on accessible hardware point to the substantial benefits of our software choices. As a result of commercial software's development mentality in regard to resource use, our equipment may be limited to comfortably run up to only Windows XP while the latest version of Ubuntu 8.10 with KDE 4.1 runs well. Linux's modular, open nature allows us to comfortably do what is often technologically inadvisable elsewhere, such as using an image of one particular machine to run a heterogenous environment, or situationally necessary, namely rationing memory and storage. In the former case, despite a lack of common hardware platform, we are able to generate predictable, stable installations, with exception to infrequent tweaks to the graphics configuration or OS-independent, low-level hardware failures. Under Microsoft Windows, obscure drivers and digital rights management would make such a task much more difficult, if not impossible. As a result, we are able to use virtualization applications such as VirtualBox to create environments for users which are then installed via PXE network booting using the free software Clonezilla. Clonezilla's installation method also means that we are able to install to an almost arbitrarily large set of computers at one time over multicast using an ethernet switch. We are also able to easily create and maintain branches of our default installations for situations that arise, such as PowerPC computers, smaller hard drives or locked-down environments for children.
Sources of Impediments
In the end, those skills that are crucial to the actual success of the organization are not taught in the standard set of computer science classes. From the experiences of the past year, there are three irreducible, but often overlapping, categories of problems that have affected the Kiwi Project: bureaucratic, sociological and technological, with the latter being more predictable and solvable than the first two. Much of the success of the group has been the result of not the availability of resources, but the ability of members to address these problems efficiently. Importantly, for members and sponsoring departments, these principles are universal to any field, and students who acquire them are uniquely privileged above their peers in the job market.
For the organization to grow beyond the self-directed collaboration of a few people, the effort requires managerial skills and organization. This hierarchy is antithetical to the normally flat division of labor and authority that occurs during group projects in academic courses. However, with such a narrow focus, bureaucratic issues are generally rooted in trivially differing visions of the delegation of labor and the application of effort. In most cases, solutions to problems that come up are rarely confined to one of the three categories. More importantly, the issues that arise cross a multitude of subjects, technical or social. An example of this being the artificial scarcity of hard drives created by concerns over information security. This problem has forced us to operationally rely on any drive donated (technical), but moreso to critically assess the use of storage by the end-user to understand operational baselines (sociological). We are forced to ask whether our users will indulge in the culture of piracy prevalent on the Internet (especially considering Ubuntu's default inclusion of a BitTorrent client) and whether that is much of the basis for modern storage demands. By identifying the diverse roots of the problem, we can promote broadly applicable solutions; in this specific case, cloud-based services, such as Pandora and Hulu, which cover both technical constraints and sociological vulnerabilities.
Moreover, despite an unequivocal adoption of open source by the department in its classes and in its lab, Linux skills are not in abundance in the student body. Without these talents, the effort's support network risks disintegration and the product becomes stale or unstable. More deeply, this should be a concern for departments; in some respects, a diversity of platforms is tantamount to the diversity of ideas that is fundamental to any legitimate institution of higher education. Issues with particular companies' business strategies aside, diversity brings new opportunities and creates value. By not being open to other platforms, our educational programs teaches specific skills and not self-sufficiency or intuition. Certainly, giving students the opportunity to dig deeply and explore in a safe environment is a good first step to overcoming such deficits.
On the other hand, we have been forced on occasion to revisit the basic foundations of the Kiwi Project over basic concerns about the applicability of open-source software to those trying to learn skills that apply to the job market. We were surprised at the reaction of recipients to a program for earning donated computers that was run by a partner. By doing tasks such as attending educational workshops and community meetings, families could earn points towards, after a certain threshold, one of the first Kiwi computers. In the end, the contest brought a palpable sense of entitlement. Despite having a demo computer available and despite it being fully adequate for basic computer use, the feedback we received included significant disappointment. People expected the height of modernity: movie streaming, video games and speed; but they also expected the same interface and software from their learning labs. Any departures detracted from the product and at least a few machines have gone unused.
Some of these disappointments are understandable. The computers delivered were slow compared to their modern lab machines and the XFCE interface could have been better arranged. At the root of the Kiwi Project there is one basic question: can we deliver not-Windows to a Windows world; can Linux survive in this environment? This opens up many derivative questions. We have been pushed to ask, did the introduction of OpenOffice, after residents had received training in Microsoft Office, adversely affect their computer education by creating confusion? Thus far, we have settled on one principle: being an open-source advocate should be synonymous with fundamentalism. Certainly, graphic design students need to be professionally comfortable with software such as Photoshop and, due to a market-monopoly, all propective employees need to be familiar with MicrosoftÕs Office applications.
Essentially, Linux needs to have its own appeal and cannot rest on its laurels in regard to open-source principles. The product which we deliver has clear advantages that should be conveyed. While users cannot buy software from retail stores, the demographic which we are connected with should be the last to do so. Nor do they need to. Ubuntu's roots in Debian Linux bring the mature apt software management back-end. Apt allows users to easily install applications and their dependencies, as well as keep them up-to-date, with minimal intervention and little prerequisite knowledge. As a result, users of the Kiwi computers have a panoply of packages ranging from drivers to music players to enterprise-level server software at their disposal for free. In this sense, if the user is willing to take advantage of new opportunities, our system is much more accessible and inexpensive than commercial competitors. Again, however, we sense that this difference seems to haunt general impressions as a negative, despite the obvious advantages.
The overarching theme of the Kiwi Project is that the organization generally cannot fully predict the needs of the users beyond the basic usage scenarios. Unlike normal classes, this creates a scenario where the program's output slowly evolves according to user input and constraints. In this respect, the project follows the normal process of development more than the generalized software development courses. The evolution of Kiwi's operating system is a primary example of this, our end product shifted and grew according to the axioms of usability and compatibility, working towards minimizing such shortcomings. While we had initially settled on Gnome as our window manager of choice after XFCE, it is not currently what is installed on fresh Kiwi desktops. Just as we immediately neglected that our customers needed modems for dial-up internet access, we came to understand from user input that the visible layout differences between Gnome and the standard Windows interface was an impediment to adoption. Directly as a result, we moved to KDE 4.1, which we felt is more intuitive and accessible for new Linux users. This underscores two of many lessons: what is straight-forward and obvious is relative to personalities and experience, and that the intuition, open-mindedness and curiosity that is the hallmark of an ideal computer scientist, is a privilege to those who really need help.
In concert with this continuous learning process was the realization that hardware maintenance and inventory matters took up the vast majority of our time, as opposed to client relations or software issues. Without that initial baseline we acquired a large amount of unusably old hardware for which disposal is difficult and scrapping services cost significant money. In the interim, we have found minor respite by opening select hardware for the public to take for noncommercial use. We continue to question our support of PowerPC models as its architecture differences require the maintenance of additional system images and is not capable of PXE booting for the cloning service. Additionally, many of the applications useful for Linux and packaged for Kiwi users, like Skype, Picasa and Flash, are unlikely to be ported to the system.
We remain concerned with the influence of Linux on the overall use of the hardware we donate. The initial reaction we receive from group administrators and recipients to the operating system difference is skeptical but open-minded, concerned mostly with delivering basic connectivity. The best available evidence asserts that this devaluation is psychological and not grounded in any faults of Linux. In one study on KDE usability,[] the average time to carry out routine tasks was found to not be significantly higher than that of Windows XP. The same group responded equally as comfortable carrying out those operations between the two platforms and equally open to continued use. On top of this, our interest in promoting Linux benefits from the difference in progression of the two systems. While we would likely be confined to the same XP if we did use commercial applications due to resource constraints, KDE has improved signifcantly in the five years since the survey.
Moreover, for the first time in a decade, Microsoft's platform position has decreased due to the success of Apple's Mac OS X platform and Linux.[] While there is no reasonably imaginable future without Microsoft having a majority of installations, it is clear that the progression of these competitors, in addition to increasingly powerful mobile computing, is creating a pluralistic ecology built on open standards. This should create a market for those with, not just particular skills, but an intuition and comfortability that allows an individual to learn and adapt to different environments. In terms of institutional pedagogy, we feel, as a result, that the congruencies in the fundamentals between operating systems are what need to be taught. In reality, the operating system is evolving from its basic formula as increased memory and processing has opened up new opportunities in interfacing with the user. Computer users will inevitably have to accommodate changes as software technology progresses regardless of whether they use open-source software or commercial platforms, as is the case with Microsoft's introduction of Office's ribbon and interface changes in Windows 7.
For those students who are not immediately inclined to spend time working towards the goals of the organization, numerous academic and informal incentives have been used to entice wide participation. With the prior establishment of an effort called the "Open Systems Support Center," which was established to provide support for free software like Linux and OpenOffice, we inherited experiential learning courses which could then be used to offer credit for application of labor and technical skills to the project. Informally, the ability to immediately distinguish oneself and advertise technical skills is important for the employment process, especially for computer professionals. As a resumé line, students can project themselves as not only technically capable but also engaged with broader, complex social issues. For the intellectually curious, we have created a playground for experimentation with software and hardware without having to worry about mistakes that lead to data loss or hardware failure. The response from undergraduates, graduates, faculty and the public has been grounds for optimism amongst those concerned about these issues. There does appear to be an underlying desire to participate and, given the right conditions and tools of motivation, there is latent base for developing such efforts.
In the larger scheme, similar projects represent new opportunities for computer science departments and their students to interact internally and with new segments of their communities. By participating in the broader public, outreach can represent the stereotypically quiet computer scientists in a more favorable light. For the department, such projects can serve as a recruitment tool and affect the socioeconomic standing of minorities and other populations that are traditionally underrepresented in mathematics and the sciences. Within the array of added value that such projects bring to departments, there has been a clear reciprocation and constant communication between the project and pre-existing social implications courses to create a tangible image of the issues pertinent to modernity. More broadly, student and faculty project members have found numerous occassions to address classes on how particular principles relate to real conditions.
Fundamentally, the best thing that the Kiwi Project, and its related efforts, can do is facilitate an environment of experimentation in which its volunteers feel free to experiment with technological and sociological concepts without consequences, while making connections between theory and practice that their non-involved peers could not, in the end fulfilling institutional and societal goals of creating computer scientists better equipped to participate in their profession and their communities.
Usage over time survey collections.
Pew Internet & American Life Project, March 2008.
Friedman, T. L.
The World Is Flat.
Farrar, Straus and Giroux, 2006.
Ito, J.
Extreme Democracy.
Lulu Publishing, 2005, ch. Emergent Democracy.
Peers, M.
Window into microsoft's monopoly money.
Wall Street Journal (March 14th 2009).
Relevantive AG.
Linux Usability Study Report, August 2003.
1Copyright 2009 by the Midwest Instruction and Computing Symposium. Permission to make printed or digital copies of all or part of this material for educational or personal use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies include this notice and the full citation on the first page.
2This is derived from Pew behavioral studies on specific use of the Internet by various demographics.
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I had visions of TRON as well, but I think they're docked. It's a fun way to introduce chests and loot into The End though.
Man, this is making me feel the need to test for upgrading our server. I was looking at going to 1.8.8 or whatever is current but have held off.
Wait, do you have the means now to trim The End and The Nether? I thought those were wipe-only.
It sounds like the new pillars required for the main End Island will just propagate somehow without a wipe, but I don't know.
Just give us ample warning before the update so Grey and I can remove the loot down in the End if we need to.
I would certainly do that if we are able to make such a thing happen. I'm just going to try to test off production first and will report back what I find.
I'm going to try with one that I upgraded to 1.8.8 and see how it works.
If that isn't fixed in updates to the 1.9 version it might mean a wipe. If those are all mobs, then we could possibly kill all mobs (horses included) and save the buildings. Not sure at this point. Going to 1.9 with this map is not currently an option though.
I've filed two bug reports in hopes that this will get sorted out without having to wipe the world to get to 1.9. I'll keep you guys posted on the results.
Yeah, this is just a snapshot, not even a pre-release. We're months away from getting a stable 1.9.
If we have to start over, I say we have a destructo party, let some big mobs loose in the world and let them tear the hell out of it!
We'd know by now if 1.9 was a wipe-world. People are updating their 1.8s with no problems, so I'd give it a while to iron out some more kinks.
Really...I'm not able to upgrade our world at all. It is broken bad on upgrade. I'm also unable to log into the game at all with my client and it's a default client. This is also for 15w31c. I am now linked to two bug reports for people with the same issues.
Someone over on reddit did an End test going from 1.8 to 1.9 and it's pretty interesting. Doesn't look all that bad for our XP trap.
Good to know it will survive. What about getting a tree thing in there though. That would be very cool I think. I might have to stop and try to play with that some this weekend.
I think all the new stuff like the trees and weird strongholds live on the new ring of islands that will pop up around our main island in 1.9.
Will those islands then interfere with the trap working by putting a place for Endmen to spawn near the trap? We would have to mine it away or cover it with something they won't spawn on.
I thought the islands were something like a thousand blocks from the main island? If that is the case, there should be no interference.
Well then that it pretty nice. I've not been looking stuff up about it. I'm looking forward to the update though. So we will then be expanding The End like we do the over-world? I wonder if I can map it like the over-world?
If it's multidimensional (like the Nether) it may become just a confused mess.
Yes, the ring of islands will start around a couple thousand blocks out from the main island, then go out from there to MCinfinity.
It will be a fun bridge to build.
I suspect glass floor with yellow glass rails.
endstone w/ purple rails, weirdo.
Not that it will happen.. I mean, imagine building a rail from downtown all the way out to Elysium's place. That's pretty much the scale.
So... Ken's in. Anyone else?
*an aside: coincidentally, for the first time ever I was out at Elysium's underwater monument today. It's a nice find, and the portal build is fun and safe. I spent some quality time out there just watching squids get zapped. Relaxing.
I'm in to help build the (rail) bridge as needed. Should be fun! We can cover it like the path to the XP trap with water and have a safe trip all the way there! Foot path can be made too for those that have an urge to run there for some reasons.
...and things that peak at you!
So there will certainly not be an issue with our current The End configuration. The trap will continue to work perfectly. I would highly recommend that the bridges be rails and not walking paths. Man that is a long way away even flying! It really is about 1000 blocks from 0,0.
Hey T – what's the chance of getting the latest snapshot on the side?
I'm sure it'd be fun for all to play with the wings, but I have a small test that I need a willing participant for, and it only works in 1.9.
The park will more interesting than I thought. So fun.
I would be happy to... I'll let you know when it's running.
I want a BRANT NEWT WURLD.
Thanks. No rush at all. I just need to push Ken in a minecart and shoot him.
Why not both? I'd love an area 10k+ blocks away from spawn that was settled much like Loch Greene or the Tekkit world. Could be on the honor system that you don't bring anything there from 'the city' and don't bring anything back. I love roughing it in MC as much as anybody, but I also like coming back home and swimming in my piles of redstone dust.
As far as a clean wipe, I think we'll get one in 2.0, honestly, with cubic chunks becoming a thing.


It's crazy to watch how fast other people's kids grow. I remember the last time I saw baby Reid like it was yesterday - at our newborn session - and he was TINY. This little guy is practically a man now, at the ripe old age of 15 months.
We met up at Saguaro Ranch and spent a little while capturing his sweet personality and documenting a few beautiful moments during this precious era of family life. Enjoy your previews, Ritzke family!
I guess that's more like it. But I'm a fan of both looks... traditional meets sophisticated. Or sweet and sassy finally hook up. However you look at it, you'll love the Mortons. Enjoy these previews and a glimpse into their lovely family.


text:
Norway central bank cuts crown currency puchases to zero
Norway's central bank said on Thursday it will cut its daily purchase of the crown currency to zero from 700 million Norwegian crowns ($80 million) due to a larger-than-expected cash inflow from the country's oil and gas industry. The revised policy takes effect on Friday and lasts until the end of November, Norges Bank said.
Representative Image Image Credit: Facebook (@sentralbanken)
Norway's central bank said on Thursday it will cut its daily purchase of the crown currency to zero from 700 million Norwegian crowns ($80 million) due to a larger-than-expected cash inflow from the country's oil and gas industry.
The revised policy takes effect on Friday and lasts until the end of November, Norges Bank said. The crown weakened on the news, falling to 9.94 per euro at 1124 GMT from 9.92 before the announcement.
The central bank normally buys currency on behalf of the government on a daily basis to make funds available for the government's fiscal budget, exchanging currency earned from its oil and gas and its sovereign wealth fund into Norwegian crowns. The recent spike in oil and gas prices has led to a huge direct inflow https://www.reuters.com/article/norway-economy-tradefigures-idUSL1N2S60E4 of cash to Norway, however.
"The change is due to a reduced need for transfers from the (sovereign wealth fund) to the government because of a larger-than-expected net cash flow from the petroleum sector," Norges Bank said in a statement. It did not say whether there were any implications for purchases beyond November.
Norway is western Europe's largest oil and gas producer with daily output of 4 million barrels of oil equivalent.
TN police crack down on violators of COVID curbs
SC sets aside HC order, says first appeal in murder case can't be dealt with in this fashion
SP's Agra MLA candidate booked for violating COVID-19 guidelines


text:
\section*{Introduction}
\label{Intro}
Fe-based pnictides compounds constitute a large class of  materials, usually showing  superconductivity upon doping or applied pressure\cite{revSCstewart}.
As these  effects act on the electronic interactions, they have been both carefully studied and recognized to be powerful tools to gain insights into the properties of these materials.
In particular, doping has been extensively investigated since it allows tuning of the carrier number at the Fermi level; however, it also brings local distortions and disorder, introduces scattering centers and affects electronic correlations and magnetic properties. All these phenomena are of course entangled and often strictly dependent on the particular compound, so that it is very hard to single out how the different mechanisms cooperate to eventually drive the system into the superconducting state.
Earlier studies\cite{berlijn1, wadati, canfield} concentrating on doping, addressed the role of the additional charges brought about by the substitution and to its possible contribution to pair-breaking and disorder\cite{ba122unfold};
however, more recently\cite{Hajiri16,Fink15,Razzoli15,ba122bandw} the attention has been driven to the effects that different band-filling of selected states might have on electronic correlations and/or on magnetic fluctuations and to their possible consequences on the pairing mechanism.
Moreover, the wide variety of Fermi surface (FS) topologies found in superconducting Fe-based materials\cite{ba122bandw} together with the presence/absence of band-nesting at the Fermi level, contributes to hinder a satisfying and unique picture that could explain the pairing mechanism in these materials.

In this context, the role of dopants is still very debated\cite{Merz} and  surely needs further studies. As an example, it is not clear why so-called {\it isovalent} substitutions are able to favor onset of superconductivity and how it is possible that the same dopant in different (but still similar) compounds  may induce completely different behaviors.
This is the case of Ru substituting on the transition metal (TM) sites of the Fe-As active layers in BaFe$_2$As$_2$ (Ba-122): Ru is considered to be isovalent with Fe, therefore no charge variations and almost unchanged Fermi surface features should be expected.
On the contrary, the electronic properties at the Fermi level are found to change considerably upon Ru-doping\cite{ARPES} bringing the compound into the superconducting state\cite{ba122Tc} which is then kept up to rather large Ru-concentrations (up to $\simeq$ 35\%), where disorder effects are expected to provide strong pair-breaking mechanisms.
On the other hand, Ru-doping in  LaFeAsO (La-1111) is seen not to induce superconductivity in the pure samples and to disrupt the superconducting state in the optimally F-doped (La-1111F) samples\cite{la1111Tc,daghero,la1111F-phase}, making the transition critical temperature ($T_C$) linearly drop with Ru-content.
At the same time, Ru-substitution in  pure La-1111  is seen to hinder magnetic order\cite{la1111struc1} while not inducing transition towards the superconducting state. Similar behavior was found for the Sm-1111 compound\cite{Iadecola,sanna,La1111Sm}.
Thus, the question arises: why Ru-doping has such different impact on 122 and 1111 systems, despite the many similarities between these compound families?

In the present work we concentrate on the effects of  structural changes induced by atomic substitution on the electronic properties of each compound and we will show that these need to be carefully investigated in order to find reasonable answers.
In the following, we will discuss the electronic properties of Ru-substitutions into Ba-122, La-1111 and La-1111F, performing {\it computational experiments} to single out pure electronic from pure structural contributions to the changes induced on the states at the Fermi level and comparing step by step the two cases considered, namely the Ba-122 and La-1111 compounds.

In order to analyze how the band structure of the pure compounds is affected by chemical substitutions, we make use of a computational technique  to unfold the supercell states into the larger primitive Brillouin zone, thus allowing to clearly compare the so called effective band structure (EBS) of the doped compound with the band structure of the pure compound and with available angle resolved photoemission spectroscopy (ARPES) experiments.

Our systematic study shows that:
{\it i)} states at the Fermi level in Ba-122 are very sensitive to structural changes due to Ru-substitution (namely, lattice parameters and the As-height with respect to the Fe-planes);
{\it ii)} changes of these states result in orbital selective doping effects: hole-pockets are seen to be much more sensitive to structural changes compared to electron-pockets;
{\it iii)} the different spatial localization of Ru d-states, with respect to Fe, has little or very negligible effects on the Fermi topology, while its contribution becomes relevant only at higher binding energies on the density of states;
{\it iv)} Ru-substitution does not cause relevant changes to the local structure in La-1111; thus, its effect is much less evident and does not appreciably change the band structure at the Fermi level;
{\it v)} Ru d-states, nevertheless, affect TM-As hybridization, thus resulting into lower magnetic moments and magnetic order suppression, in both Ba-122 and La-1111 compounds.

The present paper is organized as follows: after a brief discussion of the computational approach in Sect.~\ref{compsetup}, we analyze the structural changes induced by Ru-substitution in Sect.~\ref{structure}, while in Sect.~\ref{electronic} we discuss the effects of structure and charge-doping on the states at the Fermi level for both compounds.
In Sect.~\ref{DOS} we discuss the differences between Fe and Ru on the global binding properties of the compounds and, finally, in Sect.~\ref{conclusions} we draw our conclusions.

\section{Computational details}
\label{compsetup}
We study Ru-substitutions on iron sites of BaFe$_2$As$_2$ (Ba-122), LaFeAsO (La-1111) and LaFeAsO$_{0.875}$F$_{0.125}$ (La-1111F) pnictides by means of an {\it ab-initio} approach within density functional theory (DFT).
The calculations are performed using the VASP\cite{kresse1,kresse2} package within the generalized gradient approximation\cite{Per96} (GGA) to density functional theory, and the projected augmented-wave (PAW)\cite{Blo94}.
Inclusion of 3\textit{p}-electrons in the valence shell of the iron atoms has been found to be substantially relevant for a more accurate description of the system\cite{colonna}.

In order to consider Ru-doping, we make use of the supercell approach. To this end, supercells 8 times larger than the primitive cells (including 2 Fe-atoms) have been considered; these supercells contain 40 and 64 atoms for Ba-122 and La-1111(F) respectively, and are defined as follows:
\begin{equation}
 \begin{cases}
\mathbf{A}_1 = 2 \mathbf{a}_2 + 2 \mathbf{a}_3 \\
\mathbf{A}_2 = 2 \mathbf{a}_1 + 2 \mathbf{a}_3 \\
\mathbf{A}_3 = \mathbf{a}_1 + \mathbf{a}_2
\end{cases}~\text{and}~
 \begin{cases}
\mathbf{A}_1 = 2 \mathbf{a}_1 + 2 \mathbf{a}_2 \\
\mathbf{A}_2 = -2 \mathbf{a}_1 + 2 \mathbf{a}_2 \\
\mathbf{A}_3 = \mathbf{a}_3
\end{cases}
\label{Avsa}
\end{equation}
where $\mathbf{a}_i$ and $\mathbf{A}_i$ are the lattice vectors of the primitive cell and the supercell respectively.
With this choice, each supercell includes 16 transition metal (TM) sites, i.e.\ 16 Fe/Ru atoms.

Different configurations of Ru-impurities have been considered in order to check their possible consequences on the electronic properties and on the states at the Fermi level. We found that changes in the Fe-site positions substituted by Ru atoms, at fixed Ru-concentration, do not affect appreciably the electronic states, as long as the Ru-occupation is limited to the metallic plane and equally distributed among different planes. The total energy of the system also is only slightly affected by the impurity configuration, varying in a range of few meV per primitive cell. In what follows, we will therefore focus to just one particular configuration of impurities at any given Ru-concentration.

\begin{table}[]
\caption{In-plane $a$ and out-plane $c$ lattice vector tetragonal cell values used in our calculations, obtained from experiments for BaFe$_{2(1-x)}$Ru$_{2x}$As$_2$ (Ref.~\onlinecite{canfield,ba122struc1,ba122struc2,ba122struc4,ba122kim,baru-acz}), LaFe$_{1-x}$Ru$_x$AsO (Ref.~\onlinecite{la1111struc1,la1111strucF,la1111strucT}) and LaFe$_{1-x}$Ru$_x$AsO$_{0.875}$F$_{0.125}$ (Ref.~\onlinecite{la1111Tc,la1111strucF}).}
\centering
\renewcommand\arraystretch{1.2}
\begin{tabular}{ c c c c c c c } \hline \hline
\multicolumn{2}{c }{} & \multicolumn{5}{c }{Ru-content $x$} \\
\multicolumn{2}{c }{} & 0.00 & 0.25 & 0.50 & 0.75 & 1.00 \\ \hline
\multirow{3}{*}{$a$ (\AA)}
& Ba-122 & 3.96 & 4.00 & 4.06 & 4.10 & 4.15 \\
& La-1111 & 4.04 & 4.05 & 4.08 & 4.10 & 4.12 \\
& La-1111F & 4.03 & 4.05 & 4.07 & 4.09 & 4.11 \\
\\
\multirow{3}{*}{$c$ (\AA)}
& Ba-122 & 13.01 & 12.85 & 12.59 & 12.44 & 12.25 \\
& La-1111 & 8.74 & 8.70 & 8.63 & 8.57 & 8.50 \\
& La-1111F & 8.72 & 8.66 & 8.59 & 8.52 & 8.45 \\ \hline \hline
\end{tabular}

\label{params}
\end{table}

In order to avoid spurious effects due to non-perfect correspondence between theoretical predictions and experiments, we use experimental values\cite{canfield,ba122struc1,ba122struc2,ba122struc4,ba122kim,baru-acz,la1111struc1,la1111strucF,la1111strucT,la1111Tc} for the in-plane $a$ and out-plane $c$ lattice parameters to build up the supercells at different Ru-content, as reported in Table~\ref{params} and in Fig.~\ref{fig:structure} (left panels).
On the other hand, in order to save the local effects of the Ru-impurities on the structure, the internal parameters have been obtained performing a full relaxation of the atomic internal positions at any given Ru-concentration.
An energy cutoff of 500~eV is considered to obtain the equilibrium structures, while integration of the irreducible Brillouin zone is performed considering 8$\times$8$\times$3 and 9$\times$9$\times$5 shells for Ba-122 and La-1111(F) respectively, within the Monkhorst and Pack scheme~\cite{Mon76}, until the minimum for the total energy is reached within an uncertainty range of $10^{-3}$~eV.
Once the equilibrium structure is determined, the electronic states are self-consistently converged up to $10^{-4}$~eV total energy difference, using the tetrahedron method, with shells including up to 203 irreducible $k$-points.

At low temperatures both compounds examined are known to be in an orthorhombic antiferromagnetic stripe (AFM2) phase\cite{ba122mossb,afm2,la1111Tc2}, which is kept also at rather large Ru-contents.
We checked that the orthorhombic distortion did not change significantly the results obtained for the tetragonal phase, as far as the energetics of the system and the electronic properties at the Fermi level are concerned\cite{akturk}.
Hence, we focus here on the results obtained for the tetragonal phase only.

On the other hand, a major role in determining the structure of Ba-122 and La-1111(F) compounds is played by the magnetic order of the iron atoms:
the existence of a magnetic order, persisting on a short range scale well below the AFM-paramagnetic phase, has been in fact shown by several experiments\cite{Vilmercati,Mshort}.
This is known to sensibly affect the structural properties of these compounds and in particular the As position with respect to the Fe-planes; as a result, the As-Fe bond results to be strongly dependent on the magnetization of the Fe-atoms.
In order to fully consider these effects, we perform our calculations including a stripe magnetic order (see discussion below) for both compounds and also investigate the magnetic properties as a function of Ru-content.
We perform calculations for non-magnetically ordered cells as well, in order to highlight the differences due to the As position with respect to the stripe phase.

In order to recover the 2-Fe primitive cell band structure and compare the effects introduced by the substitutions directly with ARPES experiments, we use the unfolding procedure, as proposed by Popescu and Zunger\cite{popescuB, popescuL}.
This method has been implemented in the VASP code\cite{VASPunfold,VASPufM} and here briefly presented.
Calculations based on supercell approach, with a unit cell $N$~times larger than the primitive cell, lead to a folded reciprocal space that in most cases makes hard a direct interpretation of the resulting band structure\cite{BerlijnUnf}.
The relation
\begin{equation}
\mathbf{k}+\mathbf{g}=\mathbf{K}+\mathbf{G}
 \label{eq_fold}
\end{equation}
describes the folding of the reciprocal space, mapping a wave vector $\mathbf{K}$ of the reciprocal space of the supercell into $N$ wave vectors $\mathbf{k}$ of the Brillouin zone of the primitive cell (pbz), by means of the reciprocal lattice vectors $\mathbf{g}$ and $\mathbf{G}$ of the primitive and supercell, respectively.
The unfolding method is able to describe the folded energy bands $E(\mathbf{K})$ obtained in the $\mathbf{K}$-vector reciprocal space of the supercell in terms of the $\mathbf{k}$-vector reciprocal space of the primitive cell.
The resulting energy values $E(\mathbf{k})$ can thus be used to visualize the so called effective band structure (EBS), useful for a more clear investigation of the electronic properties of the system.
The EBS is obtained thanks to the projection $P_{\mathbf{K}m}(\mathbf{k})$ of the folded eigenstate $\left | \Psi_{\mathbf{K}m} \right \rangle$ of the supercell into states $\left | \psi_{\mathbf{k}n} \right \rangle$ of the primitive cell (where $m$ and $n$ are band indices).
For eigenstates described by a plane waves basis set, that is our case, the projection $P_{\mathbf{K}m}(\mathbf{k})$, usually referred as Bloch character, can be written in terms of the plane waves coefficients $C_{\mathbf{g}+\mathbf{k},m}$ of the supercell states only, calculated on points connected by reciprocal vectors $\mathbf{g}$ of the primitive cell:
\begin{equation}
P_{\mathbf{K}m}(\mathbf{k})
= \sum_n | \left \langle \Psi_{\mathbf{K}m} | \psi_{\mathbf{k} n} \right \rangle | ^2
= \sum_{\{\mathbf{g}\}} | C_{\mathbf{g}+\mathbf{k},m} | ^2~.
\label{eq:blochch}
\end{equation}
The spectral function $A(\mathbf{k},E)$, which is a useful quantity for a direct comparison with experiments, can be calculated at each $\mathbf{k}$-point as a function of the energy $E$ starting from the $P_{\mathbf{K}m}(\mathbf{k})$ coefficients, as shown by the following equation:
\begin{equation}
A(\mathbf{k},E) = \sum_m P_{\mathbf{K}m}(\mathbf{k})~\delta (E_m - E )~.
\label{eq:specfun}
\end{equation}
The connection between the primitive and the supercell spaces is contained in the transformation matrix~\cite{VASPufM} $\underline{M}$ (invertible and with integer elements) defined by the following equations for the direct ($\underline{\mathbf{A}}$ and $\underline{\mathbf{a}}$) and the reciprocal ($\underline{\mathbf{B}}$ and $\underline{\mathbf{b}}$) lattice vector matrices of the supercell and primitive cell, respectively:
\begin{equation}
\underline{\mathbf{A}} = \underline{M}~\underline{\mathbf{a}}~,
\quad
\underline{\mathbf{B}} = \left ( \underline{M}^{-1} \right )^{T}\underline{\mathbf{b}}~.
\label{eq:AMa}
\end{equation}
Consistently with Eq.~\ref{Avsa}, the transformation matrices used for our calculations are defined as
\begin{equation*}
\underline{M}^{(\textrm{Ba-122})} =
\left ( \begin{matrix}
  0 & 2 & 2 \\
  2 & 0 & 2 \\
  1 & 1 & 0
 \end{matrix} \right )
~\text{and}~
\underline{M}^{(\textrm{La-1111(F)})} =
\left ( \begin{matrix}
  2 & 2 & 0 \\
 -2 & 2 & 0 \\
  0 & 0 & 1
 \end{matrix} \right )
\end{equation*}
for Ba-122 and La-1111(F), respectively.
The inclusion into the VASP code\cite{VASPufM} of an automatic tool to map the $\mathbf{K}$-$\mathbf{k}$ reciprocal spaces by means of the $\underline{M}$ matrix accordingly to Eq.~\ref{eq:AMa}, has facilitated the constructions of the Brillouin zones and, consequently, the EBS determination.
In order to be consistent with the size change of the supercells due to different Ru-concentrations, a different primitive cell is defined for each supercell used, keeping constant the given integer elements of the matrix $\underline{M}$.
This provides a set of $\{\mathbf{g}\}$ reciprocal vectors for the calculation of the Bloch character accordingly to Eq.~\ref{eq:blochch}, finally leading to the construction of the EBS in the pbz.

\section{Structural properties}
\label{structure}

\begin{figure}
\begin{center}
\includegraphics[width=0.48\textwidth,angle=0]{FIG1.eps}
\caption{(Color online) Left panels: Experimental values (Ref.~\onlinecite{canfield,ba122struc1,ba122struc2,ba122struc4,ba122kim,baru-acz,la1111struc1,la1111strucF,la1111Tc}) of the in-plane $a$ (panel (a)) and out-plane  $c/2$ and $c$ (panel (b)) vectors for Ba-122 (circles), La-1111 (squares) and La1111(F) (triangles) compounds as a function of Ru concentration. Right panels: Experimental values (empty symbols) of the As-height (Ref.~\onlinecite{ba122struc1,baru-acz,la1111struc1,la1111strucF}), with respect to the metallic plane, as a function of Ru concentration for Ba-122 (panel (c)) and La-1111 (panel (d)), compared with {\it ab-initio} non-magnetic (dashed lines) and AFM2-magnetic (continuous lines) calculations. In the case of La1111 results for the stripe-AFM2 F-doped compound are also shown (triangles).}
\label{fig:structure}
\end{center}
\end{figure}

The structural properties will be shown to play a very important role in the electronic states at the Fermi energy level ($E_F$): we therefore discuss in the following how the structure is modified by Ru substitution. Fig.~\ref{fig:structure}  compares the behavior of the lattice constants of Ba-122 with those of La-1111 as a function of Ru-concentration. Due to the larger atomic size of Ru with respect to Fe atoms, the in-plane lattice parameter increases with Ru-content and shows quite sensible variations. However, while the change is lower than 2\% in the La-compound, it is more than twice as big (5\%) in Ba-122. Variations of the $c$ parameter are more similar in the two compounds: 3.8\% and 2.8\% for Ba- and La-compounds, respectively. As a result, in La-1111 the variation is larger for the out-of-plane than for the in-plane parameter, showing that in this case the local internal compression brought by Ru-substitution is more easily adjusted along the out-of-plane direction, since the in-plane size is kept fixed by the more resilient La-O tetrahedral bonds.
In this respect, the Ba-structure appears to be much softer compared to La-1111.

\begin{figure}
\begin{center}
\includegraphics[height=0.3\textwidth,angle=0]{FIG2.eps}
\caption{(Color online) Panel (a): Fe-As (squares), Ru-As (triangles) and TM-As (circles) bond lengths for Ba-122 (solid lines, filled symbols) and La-1111 (dashed lines, empty symbols) as a function of Ru concentration. Right panels: Fe-As-Fe (squares), Ru-As-Ru (triangles) and TM-As-TM (circles) bond angle for Ba-122 (panel (b)) and La-1111 (panel (c)) as a function of Ru concentration.}
\label{fig:astm}
\end{center}
\end{figure}

Fig.~\ref{fig:structure} (right panels) shows {\it ab initio} results for the As-height $z_{\rm As}$ from the Fe-plane fully relaxed in the non-magnetic and in the stripe-AFM2 magnetic phase, compared with experimental values at room temperature (RT)\cite{la1111struc1,ba122struc1,baru-acz,la1111strucF}. The non-magnetic calculations show a behavior of the $z_{\rm As}$ internal parameter values completely different with respect to the experiment. As systematically studied in the literature\cite{DFTvsEXP}, we find that the magnetic ordered phase better reproduce the experimental behavior, even for the RT-structures, where long range AFM2 order is known not to survive: this agrees with experiments which find  non-vanishing local fluctuating magnetic moments, giving raise to a long-range paramagnetic structure\cite{Vilmercati}.
In the case of Ba-122, the As-height  shows a linear reduction of 0.05~\AA \ going from $x=0$ to $x=0.5$, nicely  following the same slope as in experiment.
In La-1111, both pure and F-doped, this same parameter shows a much slower variation as a function of dopant concentration, indicating a larger stiffness of the La-1111 structure to adjust internal strain effects, when compared to Ba-122.
In addition, at large Ru contents ($x \geq 0.8$), the experimental data remarkably tend to the DFT values.
We recall here that the As distance from the Fe-plane is a structural parameter that has been often related to the superconducting properties~\cite{zAs-Tc}, as it is strongly linked to the electronic correlations characterizing the d-orbitals involved in the As-TM bond and to the occurrence of magnetic fluctuations.
For these same reasons, the values obtained within DFT-based approaches always underestimate the experimental values. The closer agreement between theory and experiments found here at large Ru-content, when the magnetic order disappears (see discussion below), would certainly indicate a reduced relevance of correlation effects in the Ru-rich structures.

 Fig.~\ref{fig:astm} (left panel) shows the calculated values of the relevant bond lengths involving the TM and As atoms as a function of Ru-concentration.
We find that in both compounds the Ru-As bond is kept quite constant even at rather small Ru-content; on the other hand, the Fe-As bond is affected by larger changes which are definitely more evident in the Ba-based compound.
The average of the bond-lengths is also shown, providing a good agreement with experiments\cite{ba122struc1}. The same trend is found for the bond-angle (see right panels of Fig.~\ref{fig:astm}): the La-1111 compound shows a remarkable robustness of the Ru-As-Ru bond angle, related to an essentially constant Ru-As bond-length.
Thus, local distortions are definitely more relevant in Ba-122 where the overall structure as well as the internal parameters show sensible deviations from the pure compound.
Since the Fe-As local bond is quite deeply affected by Ru-substitution, it is reasonable to  expect that Ru would induce quite large disorder effects that are going to be more relevant in Ba-122 than in La-1111 compounds.

To complete this section, we briefly address the magnetic properties of the two compounds as a function of Ru-content. Fig.~\ref{fig:magn} shows the calculated magnetic moment on the Fe and Ru sites obtained for the compounds studied: Ba-122, La-1111 and La-1111F.  We see  that the magnitude of the magnetic moment on the Fe and Ru sites is not strongly dependent on the compound considered and decreases as the Ru-content increases, in agreement with experiments (despite discrepancies in the absolute values, well known in literature\cite{toschi,toschiI,ba122m,la1111m,la1111m2}).
In addition, the decrease of the local magnetic moment on the Fe sites mimics very well the behavior of the As-height shown in Fig.~\ref{fig:astm} (left panel) for Ba-122 and La-1111. This is once again a confirmation of the close relationship between the two quantities. The magnetic moment on the Ru-site is seen to be much smaller than the one on the Fe-sites and fades quickly away as the Ru content increases. This is a clear indication of the more delocalized Ru bonds (see discussion on the density of states in Sect.~\ref{DOS}).

\begin{figure}
\begin{center}
\begin{tabular}{c}
\includegraphics[width=0.39\textwidth,angle=0]{FIG3.png}  \\
\end{tabular}
\caption{(Color online) Calculated local magnetic moment of Fe (filled symbols) and Ru (empty symbols) in Ba-122 (circles), La-1111 (squares) and La-1111F (triangles) as function of Ru concentration. The inset sketches the ordering of the magnetic moments on the TM sites, in the stripe (AFM2) phase and the orientation of the metallic plane as considered in our calculations.}
\label{fig:magn}
\end{center}
\end{figure}

\section{Electronic properties}
\label{electronic}
\subsection{Band structure at the Fermi level: Ba-122}
\label{electBa}

\begin{figure*}
\begin{center}
\includegraphics[width=1.0\textwidth,angle=0]{FIG4.png}
\caption{(Color online) Effective band structure (EBS) for Ba-122 as function of Ru concentration ($x= 0.0, 0.25, 0.5$), unfolded on the 2 Fe-bct primitive cell. Panels (a), (d) and (g) show the band structure of  pure Ba-122  with  highlighted the projected orbital character  ($d_{yz}$, $d_{xz}$, $d_{x^2-y^2}$, respectively); here, the size of the data points is proportional to the amount of Bloch character. Panels (b) and (c) show the band structure for the fully relaxed structure (standard calculation) at $x=0.25$ and $x=0.5$ Ru-content, respectively. Panels (e) and (f) report the band structure of the Ru-doped compound (at $x=0.25$ and $x=0.5$ Ru-content, respectively) in the structure of pure Ba-122. Finally, panels (h) and (j) show the band structure obtained for pure Ba-122 in the fully relaxed doped structures (at $x=0.25$ and $x=0.5$ Ru-content, respectively). The inset sketches the high symmetry points in the pbz.}
\label{fig:ba122bands}
\end{center}
\end{figure*}

\begin{figure}
\begin{center}
\includegraphics[width=0.45\textwidth,angle=0]{FIG5.png}
\caption{(Color online) Fermi surface for Ba-122 as function of Ru concentration, obtained by the standard calculation at the given Ru-content: $x = 0.0, 0.25, 0.5, 0.75$ (panel (a),(b), (c) and (d), respectively). The color gradient represents the value of the spectral functional $A(\mathbf{k},E_F)$ calculated accordingly to Eq.~\ref{eq:specfun}.}
\label{fig:ba122FS}
\end{center}
\end{figure}

\begin{figure*}
\begin{center}
\includegraphics[width=1.0\textwidth,angle=0]{FIG6.png}
\caption{(Color online) Effective band structure (EBS) for La-1111 and La-1111F as function of Ru concentration  ($x= 0.0, 0.25, 0.5$), unfolded on the 2 Fe primitive cell. Panels (a), (d) and (g) show the  band structure of the pure La-1111 compound decorated with the orbital character ($d_{yz}$, $d_{xz}$, $d_{x^2-y^2}$, respectively); here the  size of the data points is proportional to the amount of Bloch character. Panels (b) and (c) show the band structure for the fully relaxed structure (standard calculation) of La-1111 at $x=0.25$ and $x=0.5$ Ru-content, respectively. Panels (e) and (f) report the band structure of  Ru-doped La-1111  (at $x=0.25$ and $x=0.5$ Ru-content, respectively) in the structure of pure La-1111. Panels (h) and (i) show the band structure obtained for pure La-11111 in the fully relaxed doped structures (at $x=0.25$ and $x=0.5$ Ru-content, respectively). Finally, panels (l), (m) and (n) show the band structure for the fully relaxed structure (standard calculation) of F-doped La-1111 compound at $x=0.0$, $x=0.25$ and $x=0.5$ Ru-content, respectively. The inset sketches the high symmetry points in the pbz.}
\label{fig:la1111bands}
\end{center}
\end{figure*}

We start the investigation of the electronic states at the Fermi level, discussing the electronic band structure of pure Ba-122  in its equilibrium structure, as shown in Fig.~\ref{fig:ba122bands}. Here, the panels on the left column highlight the $d_{yz}$ (panel (a)), $d_{xz}$ (panel(d)) and $d_{x^2-y^2}$ (panel(g)) orbital characters. Let us recall that, in the geometry considered (see inset in Fig.~\ref{fig:magn}), the first two states ($d_{yz}$ and $d_{xz}$) lay along the Fe next-nearest-neighbors and involve the Fe-As bonds, while the third one ($d_{x^2-y^2}$), which is also the lowest one in energy, points towards the Fe-Fe next-nearest-neighbors direction as well but lays in the TM-plane. As expected, the $d_{xy}$ orbital (not shown), involved in the Fe-Fe nearest-neighbor bonds, appears at very deep energy. In agreement with previous calculations\cite{ba122unfold}, these three $d_{yz}$, $d_{xz}$ and $d_{x^2-y^2}$ bands cross the Fermi level, forming hole pockets at the zone centers $\Gamma$, $Z$ and  electron pockets at the zone corners $X$, $R$. The lower band, being essentially localized in the Fe-planes, has a very small dispersion along the $k_z$-direction and gives rise to an essentially cylindrical sheet along the $\Gamma-Z$ direction, as widely discussed in the literature\cite{ba122expFS}.

We now consider how the states at the Fermi level change upon Ru substitution.
Fig.~\ref{fig:ba122bands} shows the band structure, unfolded in the 2 Fe-bct cell of the pure compound, calculated at different Ru-content ($x= 0.25, 0.5$, panels (b) and (c), respectively), fully relaxing the internal parameters at each Ru-concentration.
In the following, we will refer to these structures as 'standard structures'.
The most evident changes induced by Ru-doping involve the hole pockets at $\Gamma$ (more clearly visible along the $\Gamma-M$ line) and at $Z$: as the Ru concentration increases, the smallest pocket ($d_{x^2-y^2}$ character) progressively closes and becomes fully occupied at concentrations larger than $x=0.25$.
As a consequence, the inner cylindrical hole-sheet along the $\Gamma-Z$ line disappears completely.
The external $d_{xz}$ and $d_{yz}$ bands close around the zone center ($k_z$ = 0), while they widen on the top plane ($k_z$ = $\pi/2c$) enlarging their Fermi vectors, bringing the band-top at higher energy with respect to pure Ba-122.
Other minor changes affect the electron pockets at $X$ and $R$, with a band-bottom becoming deeper in energy as the Ru-content is increased, while the Fermi vectors are kept constant.
The changes at Fermi surface (FS) induced by Ru-substitution are shown in Fig.~\ref{fig:ba122FS} where the FS evolution as a function of Ru-content is projected on the basal plane ($k_z=0$).
Panels (a) to (d) of Fig.~\ref{fig:ba122FS} show the progressive vanishing of the hole pockets at the zone center and the essential invariance of the electron-like sheets at the $X$-point upon Ru doping.

Neglecting the well known problems related to renormalization of the theoretical band-width due to electronic correlation effects, the comparison with ARPES measurements\cite{ba122expFS,brouet2010} gives a qualitative agreement for the $d_{xz}$ and $d_{yz}$ bands, while the behavior of the $d_{x^2-y^2}$ is completely different since this band is experimentally found to be only slightly affected by Ru substitution, and to cross the Fermi level even at large $x$ concentration.
This discrepancy, common to all DFT calculations\cite{ba122unfold,ba122DOS}, can find an explanation by performing a 'computational experiment': we  take the  Ru-contents just discussed ($x = 0.25, 0.5$) and change the structure, forcing the doped compound into the pure Ba-122 structure.
The resulting band structure is shown in the central row of Fig.~\ref{fig:ba122bands} ($x=0.25, 0.5$, panels (e) and (f), respectively).
Several noticeable differences stem from the comparison of the central (e) and right (f) panels of the second row with the corresponding (b) and (c) panels reported in the upper row of Fig.~\ref{fig:ba122bands}: the most affected state is the $d_{x^2-y^2}$ hole pocket at the zone center which now grows in size as the Ru content increases, slightly enlarging the Fermi vector.
The cylindrical inner hole-sheet along the $\Gamma-Z$ becomes larger and acquires a 3-dimensional dispersion; at the same time, the Fermi vectors of the electron pockets at $X$ and $R$ are kept almost constant, while the bottom of these pockets move to deeper energies.
Thus, Ru-potential itself sensibly changes the Fermi surface with respect to the standard case, while the state energy distribution is overall kept, as further discussed in Sect.~\ref{DOS}.

As a next step, we proceed further with our 'computational experiment': we fix the fully relaxed structures corresponding at each Ru-concentration  ({\it i.e.} the same structures considered in Fig.~\ref{fig:ba122bands} panels (b) and (c)) and dress them with the pure Ba-122 compound at full Fe content ({\it i.e.} without Ru-doping, $x=0$).
The resulting band structures are shown in the bottom row (panels (h) and (i)).
Comparing the corresponding doped structures (standard structures in panel (b) and (c)), we find that the main features at the Fermi level are very similar: the closure of the $d_{x^2-y^2}$ hole-like pocket is kept and the effects on the Fermi vectors of the different orbitals are very well mimicked, as the virtual Ru-content is progressively increased.
On the contrary, the band-bottom of the electron pockets at $X$ and $R$ remains fixed, instead of moving towards higher binding energies upon Ru substitution as found for the standard structures of panels (b) and (c).

Then, it is possible to conclude that the changes induced by Ru-substitution at the Fermi level are mainly due to a purely structural effect:
the larger ionic size of Ru increases the in-plane lattice constant (see Fig.~\ref{fig:structure}) and the Fermi surface changes its shape shrinking the d$_{x^2-y^2}$ hole-like pocket, regardless the real atomic potential occupying each single Fe-site;
the mechanism is very similar to what observed in more complex $RE_4Fe_2As_2Te_{1-x}O_4$ (42214) compounds upon change of the rare-earth element\cite{bucci}.
In addition, also the behavior of the Fermi $k_F$ vectors corresponding to the $d_{xz}$ and $d_{yz}$ bands (see later discussion Sect.~\ref{subs:pocket}) obtained in the standard structure calculation, is found to be better described by the structures relaxed at the proper Ru concentration but containing only Fe atoms, rather than by the pure structure enriched with the proper amount of Ru impurities.
As a result, we can conclude that the states at the Fermi level are essentially sensitive more to structural  than to chemical effects ({\it i.e.} Ru impurity potential).
A quantitative characterization of the role played by these two effects is given in Sect.~\ref{subs:pocket}, together with a comparison with the La-1111 compound.

Consistently with this view, the discrepancy between the calculated and the experimental behavior of the $d_{x^2-y^2}$ hole-pocket at $\Gamma$ and $Z$ upon Ru substitution finds a clear explanation.
In fact, as evident from our 'computational experiment' (Fig.~\ref{fig:ba122bands}), the $d_{x^2-y^2}$ band strongly depends on the $z_{\rm As}$ internal parameter.
However, due to well-known shortcoming of DFT functionals in treating correlation effects, the calculated value of this parameter is always lower than experiments (see Fig.~\ref{fig:structure}).
Evidently, the GGA approximation works with different degree of success in determining the appropriated relaxed internal parameters depending on the amount of Ru content that influence the degree of electronic correlation.
Thus, the premature closing of the DFT $d_{x^2-y^2}$ hole-pocket, comes together with the underestimated $z_{\rm As}$ internal parameter.
In our 'computational experiment' (see panels (e) and (f) in Fig.~\ref{fig:ba122bands}), the structure is fixed, and in particular the $z_{\rm As}$ parameter keeps its largest calculated value of 1.31~\AA, roughly corresponding to the experimental value for a concentration of $x=0.5$: in this case the same $d_{x^2-y^2}$ band better agrees with ARPES experiments\cite{ba122expFS} up to large Ru content.
Once again, the accurate determination of the structure seems to be fundamental to achieve a satisfying description of the electronic properties of Ba-122 at the Fermi level.

\subsection{Band structure at the Fermi level: La-1111}
\label{electLa}
We now proceed performing the same kind of experiment on the La-1111(F) compounds at the same Ru concentrations considered for Ba-122.
Fig.~\ref{fig:la1111bands}  (left column: panels (a), (d), (g), (l)), reports the band structure close to the Fermi level  for the La-1111 pure compound  with the Fe-$d_{yz}$  (panel (a)), the Fe-$d_{xz}$  (panel (d)) and Fe-$d_{x^2-y^2}$  (panel (g)) characters highlighted and for the F-doped La-1111 compound (panel (l)).
Comparing the band structure of the superconducting compound (panel (l)) with the parent compound (panel (a)), the effect of Fluorine doping stems out clearly: the added electrons change the size of the topmost hole-pockets at the zone center without changing their 2D character\cite{hosonoRev} (note the absence of any dispersion along the $\Gamma-Z$ line), and at the same time increase the partial filling of the electron pockets along the zone corner ($M$ and $A$ points), leaving unchanged the lower $d_{x^2-y^2}$ states. The electrons coming from the F-atoms substituting on the LaO-planes go into the tetrahedral Fe-As bonds, shifting almost rigidly the Fermi level towards higher energies.

We now move to Ru-doping: at $x=0.25$ very little changes are hardly visible in the fully relaxed structures and, as we further increase the Ru-content, a small shift towards lower energies of the electron pockets at $M$ and $A$ points can be detected. All the other states are not affected in both cases, the pure and F-doped La-1111 compounds (Fig.~\ref{fig:la1111bands} panels (b),(c) and (m),(n), respectively).

We then proceed with our 'computational experiment', similarly to the Ba-122 case: Fig.~\ref{fig:la1111bands} shows the band structure of the La-1111 compound at the same Ru-content as before ($x=0.25$, and $x=0.5$, panels (e) and (f), respectively) constrained in the pure La-1111 structure. We can easily see that the band structure is not changed with respect to the La-1111 'standard structures' (panels (b) and (c)); only a very small variation can be appreciated at quite large Ru-content ($x=0.5$) in the  $d_{x^2-y^2}$ state at the Fermi level: comparing with panel (c) (corresponding to the same concentration but in the fully relaxed structure) it is possible to appreciate a small shift upwards of the 2D-inner hole sheet which now forms a tiny pocket (more evident along the $\Gamma$-$Z$ line).

We finally move to the third step of the experiment and consider the fully relaxed Ru-doped La-1111 structure and dress it with the pure compound ({\it i.e.}  full Fe-content in the $x= 0.25, 0.5$ structures),  Fig.~\ref{fig:la1111bands} (panels (h), (i)). Also in this latter case we find that the states at the Fermi level are very similar to those of the doped compound in 'standard structures': in particular, the size of the hole-pockets at the zone center appears to be unchanged, while a small shift towards higher energies is found for the electron-pockets at the corner points $M$ and $A$.

Thus, the pure structural effect as well as the chemical effect are seen to play a very minor role in this case concerning the topology of the Fermi surface. The fact that the impurity potential (chemical effect) is not affecting the states at the Fermi level agrees with what found in the Ba-122 case; at the same time the structure, that was shown to sensibly affect the Fermi topology and the states occupation in the Ba-case, is now not playing any relevant role since the La-1111 structure is not dramatically changed by Ru-substitution (as discussed in Sect.~\ref{structure}).

\begin{figure}
\begin{center}
\includegraphics[width=0.47\textwidth,angle=0]{FIG7.eps} \\
\caption{(Color online) Size of the internal and external $d_{xz}$ and $d_{yz}$ hole pockets ({\it i.e.} the Fermi vectors $k_F$) for Ba-122 and La-1111 as function of Ru concentration in the $\Gamma-X$ and $\Gamma-M$ directions. Circles represent the results obtained  using structures with fully relaxed internal parameters (standard structures); the lines with squares have been obtained using the structures of the pure compounds dressed with the proper amount of Ru atoms; the lines with triangles represent the result obtained with relaxed Ru-doped structures dressed entirely with Fe atoms at each  TM site.}
\label{fig:pockets}
\end{center}
\end{figure}

\subsection{Size evolution of hole and electron pockets}
\label{subs:pocket}
A more quantitative proof of the results just discussed in Sect.~\ref{electBa} and~\ref{electLa}, in addition to Fig.~\ref{fig:ba122bands}, \ref{fig:ba122FS} and \ref{fig:la1111bands}, can be achieved by looking at the evolution of the size of the hole pockets at the zone center in both Ba-122 and La-1111 compounds, as a function of Ru-content.
Fig.~\ref {fig:pockets} shows the Fermi vector $k_F$ ({\it i.e.} the distance from the $\Gamma$ point to the k-point where each $d_{xz}$ and $d_{yz}$ hole-pocket sheet crosses the Fermi level, along the $\Gamma$-$X$ and $\Gamma$-$M$ directions) as a function of Ru-content and for all the different cases considered, namely: fully relaxed structure (standard calculation), structure of the pure compound (pure structure with proper amount of Ru-doping) and full Fe-content ($x=0$ in the fully relaxed structure), each at the corresponding Ru-content.
First of all, the isovalent Ru-substitution in the Ba-122 system fills the hole-pockets at $\Gamma$ (with a compensating mechanism at $Z$ together with a deepening of the binding energies at $X$ and $R$, as visible from the band structure in Fig.~\ref{fig:ba122bands}).
Furthermore, we notice that the hole size is practically unchanged in the La-1111 compound, independently on the structure or impurity potential considered.
Finally, we find that the calculations for the fully relaxed structure with 100\% Fe-content, very well reproduce the correct size of both the $d_{xz}$ and $d_{yz}$ inner and external hole pockets in  Ba-122, even at quite large Ru-content (up to 50\%, at least); on the other hand, considering the proper Ru content in the pure Ba-122 structure leads to a completely different description of the topology at Fermi, with practically unchanged hole pockets.

Thus, we can state that, as far as the states at the Fermi level are concerned, a major role in changing the state occupancy at $E_F$ is played by the structural changes brought by the impurity, rather than by the impurity potential itself\cite{Merz}.

\begin{figure}
\begin{center}
\begin{tabular}{cc}
\includegraphics[width=0.24\textwidth,angle=0]{FIG8a.eps} &
\includegraphics[width=0.24\textwidth,angle=0]{FIG8b.eps} \\
\end{tabular}
\caption{(Color online) Atom projected DOS for Ba-122 on the Ru (panel (a)) and Fe (panel (b)) sites at different Ru-content ($x= 0, 0.25, 0.5, 0.75, 1$), in arbitrary units. The partial density of states corresponding to different concentrations is arbitrarily shifted on the $y$-axes to allow comparison. Panel (c): Total DOS for Ba-122 at $x=0.5$ calculated for the fully optimized (gray filled curve), all Fe (relaxed structure dressed up with Fe atoms only, dashed line) and pure (pure structure dressed up with 50\% Ru doping, continuous line) structures, and compared with the fully optimized pure $x=0$ Ba-122 case (dotted line).}
\label{fig:ba122DOS}
\end{center}
\end{figure}

\section{Impurity potential, binding properties and density of states}
\label{DOS}

As previously discussed, we found the electronic band structure at the Fermi level to be strongly dependent on the structural parameters.
Consequently, since the structures of the Ba-122 and La-1111(F) compounds are affected by Ru substitution to a different degree, the effects on the band structures are different:
Ru is varying the hole-pocket size at $\Gamma$ and $Z$ in Ba-122 while is not changing to any appreciable extent the Fermi topology in La-1111, as just shown in the previous section.
Therefore, now the question arises: what is the direct role, if any, of the impurity potential and how does it  affect the overall electronic properties of each compound?

To answer this question we report in Fig.~\ref{fig:ba122DOS} (left panels) the density of states (DOS) projected on the Fe and Ru sites of the Ba-122 compound as obtained from the fully relaxed structures at the various Ru-concentrations considered.
Analogous results are obtained for the La-1111 compound (not shown here).
As expected, being the Ru-4$d$ shell more delocalized than the Fe-3$d$ shell, the energy distribution of the occupied states of Ru is much less pronounced at energies close to the Fermi level with respect to Fe.
The major peak of the Fe-DOS moves towards higher binding energies as the Ru-content increases.
Furthermore, the delocalized character of the Ru-orbitals gives also rise to a wider band (centered around -4~eV) extending at higher binding energies and broadening the hybridization with the As-$p$ states (not shown) at energies lower than -4 eV (as also recently found for Co doping\cite{ba122expCo}).
This also shifts the Fe-peak from -3~eV towards higher binding energies, making the Fe-DOS less and less structured as Ru content increases.

Fig.~\ref{fig:ba122DOS} (right panel) shows the effect of the Ru-substitution on the density of states at energies close to the Fermi level, comparing the DOS calculated for different structures: namely, the standard calculation ({\it i.e.} the fully relaxed Ru-doped structure at $x=0.5$), the un-doped compound at the fully relaxed structure ({\it i.e.} the $x=0$ compound in the $x=0.5$ structure), the doped system in the structure of the pure compound ({\it i.e.} the $x=0.5$ compound constrained in the structure of the pure compound), and, finally, the pure Ba-122 compound in its own fully relaxed structure.
Unrevealing the effect of the impurity potential is not trivial, though an overall behavior appears clearly.
The curve representing the fully relaxed doped compound at $x=0.5$ better compares with the curve representing the same compound but in the pure structure, rather than with the DOS of the other two cases (all Fe in the relaxed $x=0.5$ structure, and pure Ba-122 standard structure, which, by the way are quite similar to each other), giving larger deviations even if the all Fe case is constrained in the same structure.
Thus, as far as the overall energy distribution of the states is considered, the major role seems to be played by the impurity potential rather than by the local structural details ({\it i.e.} the opposite of what we found for the Fermi vectors in Sect.~\ref{electronic}).

Therefore, while structural changes modify the Fermi surface, the impurity potential shifts the TM-As hybridization to lower energies upon Ru substitution.
We stress here that only the combination of both effects lead to a proper description of the band structure, that otherwise is difficult to achieve using other methods (such as virtual crystal approximation\cite{VCAvsSC}), which completely neglect local structural effects.
Moreover, the impurity potential is seen to affect the density of states of both compounds here analyzed, while the structural resilience of La-1111(F) prevents changes at its Fermi topology.
The comparison between the Ba-122 and the La-1111(F) compounds plays an important role in the investigation of the superconducting properties of iron pnictides.
In fact, the different behaviors found in the electronic properties of these compounds come hand in hand with different effects on the superconductivity:
Ru substitution is well known to be effective in driving Ba-122 towards superconductivity\cite{ba122expFS} while its presence is detrimental in La-1111, even in the optimally F-doped compound\cite{la1111Tc}.

\section{Conclusions}
\label{conclusions}
To summarize, we presented a detailed and systematic DFT study of Ru isovalent substitution in BaFe$_2$As$_2$ (Ba-122) and pure and F doped LaFeAsO (La-1111(F)) compounds.
The calculated internal parameters in large supercells are found to be overall in satisfying agreement with experiments, confirming the presence of magnetic order on a short range scale, which is weakened by  Ru impurities.  Effects induced by the Fe-Ru substituion also involve  the structure, the TM-As bond lengths and the TM-As-TM bond angles, though to a different extent in the Ba-122 and La-1111(F) compounds.

By disentangling the structural from the pure impurity potential effects due to Ru impurities, we found a strong dependence of the Fermi topology on the former.
A minor role is, in fact, directly played by the more delocalized Ru orbitals, that only shift the TM-As hybridization to lower energy, as clearly visible from the density of states.
Instead, the effective band structure at the Fermi level, obtained by means of the unfolding technique recently included in the VASP code, is modified accordingly to the structural changes due to Ru substitution.
In particular, the Fermi surface presents hole pockets at $\Gamma$ point shrinking as the As atoms get closer to the TM planes upon Ru substitution in Ba-122, thus resulting in an effective local electron doping compensated by further modifications at the basal $Z$-plane.
The discrepancy between DFT calculations and ARPES experiments regarding the behavior of the $d_{x^2-y^2}$ band upon Ru-substitution, appears to be related to the underestimated values of the \textit{ab initio} relaxed $z_{\rm As}$ internal parameter, that is strongly dependent on the electronic correlations.

In La-1111(F), due to its structural resilience, the Fermi topology is consistently found not to appreciably change at all.
This reflects also the well known different picture of the superconductivity scenario:
Ru is found not to drive any superconducting state in La-1111, and even disrupts  superconductivity in the optimally F-doped compound, linearly lowering the critical temperature, while the opposite is found for the Ba-122 system.

This different behavior, suggests the need to properly take into account the local structural effects and their consequent impact on the electronic properties, in order to satisfyingly describe the peculiarities of the 122 and 1111 iron pnictide families.

\begin{acknowledgments}
This work has been carried out within a joint collaboration between the University of L'Aquila (Italy) and the University of Vienna (Austria), supported by the LLP Erasmus Placement student mobility program and the FWF-SFB ViCoM (Grant No. F41) project.
Support from the Italian Ministry for Research and Education through MIUR-PRIN2012 grant and computing time at the Vienna Scientific Cluster and ISCRA C grant at Cineca HPC are greatly acknowledged.
\end{acknowledgments}

redpajama_set_name: RedPajamaArXiv


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