TopoTB: A software package for calculating the electronic structure and topological properties of the tight-binding model

2024/03/13 by Xinliang Huang, Huang, Xinliang, Fawei Zheng +3
Materials Science · Mathematics · #Combinatorics #Computational science #Computer science #Condensed matter physics #Electronic structure #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Mathematics #Physics #Programming language #R package #Software #Software package #Tight binding #Topology (electrical circuits)

paper · pdf · doi:10.48550/arxiv.2403.08615

openalex publication_date 2024/03/13 · openalex created_date 2024/03/15 · openalex updated_date 2026/07/28

Abstract

We present TopoTB, a software package written in the Mathematica language, designed to compute electronic structures, topological properties, and phase diagrams based on tight-binding models. TopoTB is user-friendly, with an interactive user interface that enables the tuning of model parameters for fitting the target energy bands in a WYSIWYG way. In addition, TopoTB also includes functionalities for processing results from Density Functional Theory calculations. The outputs of TopoTB are rich and readable, and they can be displayed in various styles. These features make TopoTB a useful tool for the theoretical study of materials.

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