Flat bands of TaS$_2$ under superlattice potential modulation: A Wannier tight-binding model study (2412.10994v1)

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.