WannierTools: An open-source software package for novel topological materials

2017/03/31 by QuanSheng Wu, ShengNan Zhang, Hai-Feng Song +2 · 12 citations
Physics and Astronomy · #physics.comp-ph #cond-mat.mes-hall

paper · pdf · doi:10.1016/j.cpc.2017.09.033

published as Computer Physics Communications 2018 · The supplementary files (WannierTools source and documentation) can be downloaded from https://github.com/quanshengwu/wannier_tools

arxiv created 2017/09/26 · arxiv updated 2018/02/05

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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• Magnetononlinear Hall effect from multigap topology in metal-organic frameworks
• Polarization Engineering of the Orbital Hall Conductivity in Two-dimensional Ferroelectric Higher-Order Topological Insulator Tl₂S and SnS
• Broken Symmetry-driven Weyl Semimetal Phase in Zn-Substituted EuMn₂Sb₂
• Weyl nodes and Kondo interaction in noncentrosymmetric semimetals RGaGe (R=La, Ce and Pr) with long Fermi arcs
• Ultrafast laser-driven topological phase patterning
• DFT based insights into elastic, thermophysical, electronic and optical properties of topological insulators XTe5 (X = Zr, Hf)
• Design Topological Materials by Reinforcement Fine-Tuned Generative Model
• Accessing quasi-flat f-bands to harvest large Berry curvature in NdGaSi
• Annular Majorana mode in a superconducting topological insulator
• Correlated topological-polarization surface states in the narrow-gap insulator FeSb2
• Emergent Surface Altermagnetism

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