By means of abinitio computation schemes, we examine the low-energy electronic structure of monolayer TaS2 in its low-temperature commensurate charge-density-wave structure. We estimate and take into account both local and non-local Coulomb correlations within cRPA (constrained random phase approximation) and GW+EDMFT (GW plus extended dynamical mean-field theory) method. Mott nature of its insulating phase is clearly identified. By increasing the level of nonlocal approximation from DMFT (V=0) to EDMFT and GW+EDMFT, a systematic change of charge screening effects is clearly observed while its quantitative effect on the electronic structure is small in the realistic Mott state.
@article{arxiv.2206.08519,
title = {Non-local Coulomb interaction and correlated electronic structure of TaS$_2$: A GW+EDMFT study},
author = {Taek Jung Kim and Min Yong Jeong and Myung Joon Han},
journal= {arXiv preprint arXiv:2206.08519},
year = {2022}
}