Flat bands of TaS$_2$ under superlattice potential modulation: A Wannier tight-binding model study

TL;DR

This study develops a Wannier tight-binding model for TaS$_2$ under superlattice potential modulation, revealing flat bands and band interactions, aiding understanding of 2D materials' electronic properties.

Contribution

The paper introduces a computational approach to model TaS$_2$ with superlattice modulation, highlighting flat bands and band interactions without additional assumptions.

Findings

Identification of dispersionless flat bands

Observation of significant band interactions

Modification of band dispersion at low potentials

Abstract

In this work, we construct a Wannier tight-binding model for TaS$_2$ under a superlattice potential modulation, based on the Joint Automated Repository for Various Integrated Simulations database established by the U.S. National Institute of Standards and Technology, so as to study the electronic properties of the structure. Our computational method enables direct calculation of the energy bands from the Hamiltonian without any additional assumptions. We observed a pair of dispersionless flat bands, significant interactions between energy bands, and nontrivial modification of band dispersion at low modulated electric potentials. This work provides a valuable reference for researchers investigating two-dimensional condensed matter materials under superlattice potential modulation.