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arXiv · 2105.09504

MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials

Zeying Zhang·Zhi-Ming Yu·Gui-Bin Liu·Yugui Yao
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Abstract

We present a Mathematica program package MagneticTB, which can generate the tight-binding model for arbitrary magnetic space group. The only input parameters in MagneticTB are the (magnetic) space group number and the orbital information in each Wyckoff positions. Some useful functions including getting the matrix expression for symmetry operators, manipulating the energy band structure by parameters and interfacing with other software are also developed. MagneticTB can help to investigate the physical properties in both magnetic and non-magnetic system, especially for topological properties.

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Zeying Zhang, Zhi-Ming Yu, Gui-Bin Liu, Yugui Yao. 2021-05-20. MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials. https://doi.org/10.1016/j.cpc.2021.108153

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