A Computational Investigation of Phase‐Dependent Anomalous Nernst Effect in Ferrimagnetic Cr ₂ MnSb Heusler Alloy

Abstract Ferrimagnetic Heusler alloys show promising applications to thermoelectric and spintronic devices based on anomalous Nernst phenomena led by Berry curvature. The present work shows a computational investigation of the Anomalous Hall Conductivity ( AHC ) and Anomalous Nernst Conductivity ( ANC ) in a ferrimagnetic Cr 2 MnSb Heusler alloy, which exhibits both L2 1 and Xa structures. The spin‐polarized calculations reveal that Cr 2 MnSb is a ferrimagnetic Heusler alloy, with a nearly zero magnetic moment. The nonzero large Berry curvature (Ω z (Å 2 )) along the (001) plane leads to the large AHC value of 567 and 302 S cm −1 for L2 1 and Xa structure, respectively. The ANC value for L2 1 (0.80 Am −1 K −1 ) is significantly greater than Xa structure (0.05 Am −1 K −1 ) at room temperature. This value for L2 1 phase is further enhanced with B2 disorder because of a modification in the overall Berry curvature around the Fermi level. These large values of AHC and ANC in the L2 1 structure may be a consequence of the presence of mirror plane symmetry along . Therefore, Cr 2 MnSb, a ferrimagnetic material, can be a potential candidate for thermoelectric device applications with and without disorder.