Atomic-level simulations of misfit dislocation at the interface of Fe2O3/Al2O3 system
F. Gao, C. M. Wang, S. Maheswaran, S. Thevuthasan
When α-Fe2O3 thin films are deposited on α-Al2O3(0 0 0 1) substrates using oxygen plasma assisted molecular beam epitaxy, a periodic distribution of basal dislocations occurs due to lattice mismatch along the interfaces. High-resolution transmission electron microscopy shows, when observed from 〈1 1 2 0〉 zone axis, that these dislocations lie at the interface about 7.0 nm apart. Molecular-dynamics simulations were performed in order to understand the formation of misfit dislocations and the interface structural features in Fe2O3/Al2O3 system. It is found that the misfit dislocations are mainly formed in Al2O3 substrates with Burger's vector of 1/3〈1 1 2 0〉, and terminated at the interfaces, in consistent with experiments observed previously. These dislocations can dissociate into two partial dislocations with Burger's vectors of 1/3〈1 0 1 0〉 and 1/3〈0 1 1 0〉 by forming stacking faults on (0 0 0 1) planes. The core structures of the misfit dislocations in semicoherent interfaces are analyzed in detail, and the misfit dislocations have narrow cores in the plane of the interfaces.
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
https://doi.org/10.1016/S0168-583X(03)00523-8
Dislocations (crystals)
Burgers vector
Lattice mismatch
Stacking faults
High resolution transmission electron microscopy
Molecular beam epitaxy
Interfaces (computer)
crystal defects
Epitaxy
Misfit dislocation
Gao, F., Wang, C. M., Maheswaran, S., & Thevuthasan, S. (2003). Atomic-level simulations of misfit dislocation at the interface of Fe2O3/Al2O3 system. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, 207(1), 63-71. https://doi.org/10.1016/S0168-583X(03)00523-8
Atomic-level simulations of misfit dislocation at the interface of Fe2O3/Al2O3 system. / Gao, F.; Wang, C. M.; Maheswaran, S.; Thevuthasan, S.
In: Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 207, No. 1, 05.2003, p. 63-71.
Gao, F, Wang, CM, Maheswaran, S & Thevuthasan, S 2003, 'Atomic-level simulations of misfit dislocation at the interface of Fe2O3/Al2O3 system', Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, vol. 207, no. 1, pp. 63-71. https://doi.org/10.1016/S0168-583X(03)00523-8
Gao F, Wang CM, Maheswaran S, Thevuthasan S. Atomic-level simulations of misfit dislocation at the interface of Fe2O3/Al2O3 system. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 2003 May;207(1):63-71. https://doi.org/10.1016/S0168-583X(03)00523-8
Gao, F. ; Wang, C. M. ; Maheswaran, S. ; Thevuthasan, S. / Atomic-level simulations of misfit dislocation at the interface of Fe2O3/Al2O3 system. In: Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 2003 ; Vol. 207, No. 1. pp. 63-71.
@article{b9091e7574024558a37b085faa03ec2f,
title = "Atomic-level simulations of misfit dislocation at the interface of Fe2O3/Al2O3 system",
abstract = "When α-Fe2O3 thin films are deposited on α-Al2O3(0 0 0 1) substrates using oxygen plasma assisted molecular beam epitaxy, a periodic distribution of basal dislocations occurs due to lattice mismatch along the interfaces. High-resolution transmission electron microscopy shows, when observed from 〈1 1 2 0〉 zone axis, that these dislocations lie at the interface about 7.0 nm apart. Molecular-dynamics simulations were performed in order to understand the formation of misfit dislocations and the interface structural features in Fe2O3/Al2O3 system. It is found that the misfit dislocations are mainly formed in Al2O3 substrates with Burger's vector of 1/3〈1 1 2 0〉, and terminated at the interfaces, in consistent with experiments observed previously. These dislocations can dissociate into two partial dislocations with Burger's vectors of 1/3〈1 0 1 0〉 and 1/3〈0 1 1 0〉 by forming stacking faults on (0 0 0 1) planes. The core structures of the misfit dislocations in semicoherent interfaces are analyzed in detail, and the misfit dislocations have narrow cores in the plane of the interfaces.",
keywords = "Computer simulation, Epitaxy, Interface, Misfit dislocation",
author = "F. Gao and Wang, {C. M.} and S. Maheswaran and S. Thevuthasan",
doi = "10.1016/S0168-583X(03)00523-8",
journal = "Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms",
T1 - Atomic-level simulations of misfit dislocation at the interface of Fe2O3/Al2O3 system
AU - Gao, F.
AU - Wang, C. M.
AU - Maheswaran, S.
AU - Thevuthasan, S.
N2 - When α-Fe2O3 thin films are deposited on α-Al2O3(0 0 0 1) substrates using oxygen plasma assisted molecular beam epitaxy, a periodic distribution of basal dislocations occurs due to lattice mismatch along the interfaces. High-resolution transmission electron microscopy shows, when observed from 〈1 1 2 0〉 zone axis, that these dislocations lie at the interface about 7.0 nm apart. Molecular-dynamics simulations were performed in order to understand the formation of misfit dislocations and the interface structural features in Fe2O3/Al2O3 system. It is found that the misfit dislocations are mainly formed in Al2O3 substrates with Burger's vector of 1/3〈1 1 2 0〉, and terminated at the interfaces, in consistent with experiments observed previously. These dislocations can dissociate into two partial dislocations with Burger's vectors of 1/3〈1 0 1 0〉 and 1/3〈0 1 1 0〉 by forming stacking faults on (0 0 0 1) planes. The core structures of the misfit dislocations in semicoherent interfaces are analyzed in detail, and the misfit dislocations have narrow cores in the plane of the interfaces.
AB - When α-Fe2O3 thin films are deposited on α-Al2O3(0 0 0 1) substrates using oxygen plasma assisted molecular beam epitaxy, a periodic distribution of basal dislocations occurs due to lattice mismatch along the interfaces. High-resolution transmission electron microscopy shows, when observed from 〈1 1 2 0〉 zone axis, that these dislocations lie at the interface about 7.0 nm apart. Molecular-dynamics simulations were performed in order to understand the formation of misfit dislocations and the interface structural features in Fe2O3/Al2O3 system. It is found that the misfit dislocations are mainly formed in Al2O3 substrates with Burger's vector of 1/3〈1 1 2 0〉, and terminated at the interfaces, in consistent with experiments observed previously. These dislocations can dissociate into two partial dislocations with Burger's vectors of 1/3〈1 0 1 0〉 and 1/3〈0 1 1 0〉 by forming stacking faults on (0 0 0 1) planes. The core structures of the misfit dislocations in semicoherent interfaces are analyzed in detail, and the misfit dislocations have narrow cores in the plane of the interfaces.
KW - Computer simulation
KW - Epitaxy
KW - Interface
KW - Misfit dislocation
U2 - 10.1016/S0168-583X(03)00523-8
DO - 10.1016/S0168-583X(03)00523-8
JO - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
JF - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
10.1016/S0168-583X(03)00523-8