Study the Electronic, Magnetic and Elastic Properties of Ir2FeGe

Moued Mebrek

Abstract

The electronic structure, magnetic and elastic properties were predicted for Full Heusler Alloy-Ir2FeGe using local spin density approximation as implemented in Wien2k. The exchange-correlation potential is treated with the local density approximations LDA. The optimized lattice constant was 2.13% lower than the predicted value. This material is metallic and ferromagnetic. The energy level close to Fermi is mainly occupied by Ir-d and Fe-d-electrons. We accorded more attention to the elastic constants, where we have derived bulk and shear modules with employing Voigt–Reuss–Hill approach. The ferromagnetic performance of Ir2FeGe is confirmed by the total magnetic moment of 3.50 μB per formula unit, where its main contribution is originated from Fe atoms.

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