Abstract
In this study, the effect of elastic biaxial strain on electronic structure and the anomalous Hall conductivity (AHC) of α‐Fe has been systematically studied by using the combination of a first principles calculation with the tight binding method through the Wannier function. It is found that applying strain in cubic structure of α‐Fe results in the reduction of crystal symmetry and gives the modification on the bands near Fermi level, which causes a significant change in the AHC of strained systems. The AHC of strained α‐Fe is found to be sensitive with applying strain, which shows the large enhancement of AHC at +2% tensile strain with AHC value is up to 929 Ω−1 cm−1 (increases more than 30%) compared with the unstrained one, while slightly reduces when applying compressive strain. The modification of AHC is found to be related to the change of Berry curvature contributed from the spin orbit coupling (SOC) induced energy gap near Fermi level. © 2024 Institute of Electrical Engineer of Japan and Wiley Periodicals LLC.
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