\texttt{WannierTools}: an open-source software package for novel topological materials

DOI10.1016/J.CPC.2017.09.033MaRDI QIDQ6096975zbMATH OpenOpenAlexWikidataFDO

Authors Quansheng Wu, ShengNan Zhang, Haifeng Song, Matthias Troyer, Alexey A. Soluyanov

Publication date 9 June 2023

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

Full work available at URL https://arxiv.org/abs/1703.07789

zbMATH Keywords

tight-binding modeltopological numbersurface statenovel topological materials

Mathematics Subject Classification ID

Mechanics of deformable solids (74-XX) Quantum theory (81-XX)

Abstract: We present an open-source software package WannierTools, a tool for investigation of novel topological materials. This code works in the tight-binding framework, which can be generated by another software package Wannier90. It can help to classify the topological phase of given materials by calculating the Wilson loop and can get the surface state spectrum which is detected by angle-resolved photoemission (ARPES) and in scanning tunneling microscopy (STM) experiments. It also identifies positions of Weyl/Dirac points and nodal line structures, calculates the Berry phase around a closed momentum loop and Berry curvature in a part of the Brillouin zone.

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Cites work

• scientific article; zbMATH DE number 653618 (Why is no real title available?)
• A Simplex Method for Function Minimization
• An updated version of wannier90: a tool for obtaining maximally-localised Wannier functions
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• Wannier90: A tool for obtaining maximally-localised Wannier functions

Cited in

(10)

• A modified dual-level fast multipole boundary element method for large-scale three-dimensional potential problems
• Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi\(_2\)Te\(_4\)
• Existence and computation of generalized Wannier functions for non-periodic systems in two dimensions and higher
• \textit{Tight-Binding Studio}: a technical software package to find the parameters of tight-binding Hamiltonian
• MagneticTB: a package for tight-binding model of magnetic and non-magnetic materials
• PYATB: an efficient python package for electronic structure calculations using ab initio tight-binding model
• Software implementation for calculating Chern and \(\mathbb{Z}_2\) topological invariants of crystalline solids with WIEN2k all-electron density functional package
• WannSymm: a symmetry analysis code for Wannier orbitals
• Realization of Z₂ Topological Metal in Single‐Crystalline Nickel Deficient NiV₂Se₄
• \texttt{irvsp}: to obtain irreducible representations of electronic states in the VASP

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