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

DOI10.1016/J.CPC.2021.108153MaRDI QIDQ6162810zbMATH OpenOpenAlexFDO

Authors Zeyin Zhang, Zhi-Ming Yu, Gui-Bin Liu, Yugui Yao

Publication date 16 June 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2105.09504

zbMATH Keywords

magnetic space grouprepresentation theorytight-binding method

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to statistical mechanics (82-04) Statistical mechanics of solids (82D20) Statistical mechanics of magnetic materials (82D40)

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.

Recommendations

• \textit{Tight-Binding Studio}: a technical software package to find the parameters of tight-binding Hamiltonian
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Cites work

• \textit{Tight-Binding Studio}: a technical software package to find the parameters of tight-binding Hamiltonian
• \textsf{SpaceGroupIrep}: a package for irreducible representations of space group
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• scientific article; zbMATH DE number 3008220 (Why is no real title available?)
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Cited in

(4)

• \textit{Tight-Binding Studio}: a technical software package to find the parameters of tight-binding Hamiltonian
• TB2J: a python package for computing magnetic interaction parameters
• \textsf{MagneticKP}: a package for quickly constructing \(\boldsymbol{k}\cdot\boldsymbol{p}\) models of magnetic and non-magnetic crystals
• PYATB: an efficient python package for electronic structure calculations using ab initio tight-binding model

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