论文标题
非本地库仑相互作用和TAS $ _2 $的相关电子结构：GW+EDMFT研究
Non-local Coulomb interaction and correlated electronic structure of TaS$_2$: A GW+EDMFT study
论文作者
论文摘要
通过$ ab〜1ain $计算方案，我们检查了其低温电荷密度 - 波密度的波结构的单层TAS $ _2 $的低能电子结构。我们估计并考虑到CRPA（约束随机相位近似）和GW+EDMFT（GW Plus GW Plus扩展的动态平均场理论）方法中的局部和非本地库仑相关性。清楚地鉴定出其绝缘阶段的莫特本质。通过增加从DMFT（$ V = 0 $）到EDMFT和GW+EDMFT的非本地近似水平，可以清楚地观察到电荷筛选效应的系统变化，而其对电子结构的定量效应在现实的Mott State中很小。
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.
