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- W4283207110 abstract "By means of $ab~initio$ computation schemes, we examine the low-energy electronic structure of monolayer TaS$_2$ 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." @default.
- W4283207110 created "2022-06-22" @default.
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- W4283207110 date "2022-06-16" @default.
- W4283207110 modified "2023-09-27" @default.
- W4283207110 title "Non-local Coulomb interaction and correlated electronic structure of TaS$_2$: A GW+EDMFT study" @default.
- W4283207110 doi "https://doi.org/10.48550/arxiv.2206.08519" @default.
- W4283207110 hasPublicationYear "2022" @default.
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