Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu4Z12 (Z = As12, Sb12) filled skutterudite materials.Using the density functional theory methodology, we have thoroughly examined KRu4As12 and KRu4Sb12 skutterudites, including their structural, electronic, mechanical, transport, and thermodynamic properties.  Moreover, the semi-classical Boltzmann transport theory has been employed to examine the Seebeck coefficient as well as the electric and thermal conductivities.  The quasi-harmonic Debye approximation is a method used to analyze the stability of a system under high pressures and accounts for the temperature dependency of thermodynamics.  By implementing this approximation, researchers can gain insights into the stability and thermodynamic properties of materials under extreme conditions.
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