Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb skutterudite.

The investigation of binary and filled skutterudite structures, particularly PtSb and GdPtSb, has gained significant attention, becoming a focal point in scientific research. This comprehensive report delves into the intrinsic characteristics of these structures using Density Functional Theory (DFT). Initially, we assess the structural stability of PtSb and GdPtSb by examining their total ground state energy and cohesive energy, employing the Brich Murnaghan equation of state to determine stability in various configurations.

Correction: Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRuZ (Z = As, Sb) filled skutterudite materials.

[This corrects the article DOI: 10.1039/D3RA05546A.].