\textsf{MagneticKP}: a package for quickly constructing \(\boldsymbol{k}\cdot\boldsymbol{p}\) models of magnetic and non-magnetic crystals

DOI10.1016/j.cpc.2023.108784arXiv2205.05830MaRDI QIDQ6115299

Ze Yin Zhang, Zhenye Li, Yugui Yao, Shengyuan A. Yang, Gui-Bin Liu, Zhi-Ming Yu

Publication date: 12 July 2023

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

Full work available at URL: https://arxiv.org/abs/2205.05830

zbMATH Keywords

null spacemagnetic space group\(\boldsymbol{k}\cdot\boldsymbol{p}\) Hamiltonian

Mathematics Subject Classification ID

Graph theory (including graph drawing) in computer science (68R10) Statistical mechanics of crystals (82D25) Hamilton's equations (70H05) Statistical mechanics of solids (82D20)

Cites Work

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• Some algorithms for nilpotent permutation groups
• The Magma algebra system. I: The user language
• Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups
• Magnetic Groups and Their Corepresentations
• Motion of Electrons and Holes in Perturbed Periodic Fields
• \textsf{SpaceGroupIrep}: a package for irreducible representations of space group
• \texttt{IrRep}: symmetry eigenvalues and irreducible representations of \textit{ab initio} band structures
• \texttt{qeirreps}: an open-source program for \textsc{quantum ESPRESSO} to compute irreducible representations of Bloch wavefunctions
• \textsf{MSGCorep}: a package for corepresentations of magnetic space groups
• MagneticTB: a package for tight-binding model of magnetic and non-magnetic materials

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