Direct determination of layer anomalous Hall conductivity using uniaxial Wannier functions

2025/06/01 by Morishima, Yume, Ishii, Fumiyuki, Yamaguchi, Naoya
#Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.2506.01160

Abstract

We propose a method for computing layer anomalous Hall conductivity (LAHC) in real space by integrating the Fukui-Hatsugai-Suzuki method with hybrid Wannier functions localized along a single axis. To validate the method, we calculated the LAHC of axion-insulating MnBi₂Te₄ and confirmed the agreement between the sum of LAHC on the surface and the surface AHC previously reported. We further applied the method to antiferromagnetic Mn₂Bi₂Te₅ and examined the dependence on the magnetic structure of LAHC, identifying cases with and without axion insulating behavior. This layer-resolved analysis offers a powerful tool for studying topological transport in complex materials, including heterostructures, and may guide the design of future devices based on the anomalous Hall effect with precise layer control.

Citations

• High-Chern-number Quantum anomalous Hall insulators in mixing-stacked MnBi₂Te₄ thin films
• Observation of cluster magnetic octupole domains in the antiferromagnetic Weyl semimetal Mn3Sn nanowire
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• Berry phase effects on electronic properties
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• Maximally-localized generalized Wannier functions for composite energy bands
• Generalized Gradient Approximation Made Simple
• Quantal phase factors accompanying adiabatic changes
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