论文标题
Mott与杂交差距在低温阶段的$ 1T $ -TAS $ _2 $
Mott versus hybridization gap in the low-temperature phase of $1T$-TaS$_2$
论文作者
论文摘要
我们使用$ GW $ + EDMFT方法计算堆叠的$ 1T $ -TA $ -TA $ _2 $ BILAYER的相关电子结构。根据表面终止，半无限的无相关系统要么是谱带构造或表现出金属表面状态。对于现场相互作用和现场相互作用的现实值，在表面状态下打开mott间隙，但该间隙小于源自双层结构的间隙。我们的结果与最近扫描隧道光谱测量不同终端层的扫描隧道光谱测量以及我们自己的光发射测量值，这表明了电子光谱中具有不同间隙的空间区域的共存。
We compute the correlated electronic structure of stacked $1T$-TaS$_2$ bilayers using the $GW$ + EDMFT method. Depending on the surface termination, the semi-infinite uncorrelated system is either band-insulating or exhibits a metallic surface state. For realistic values of the onsite and intersite interactions, a Mott gap opens in the surface state, but this gap is smaller than the gap originating from the bilayer structure. Our results are consistent with recent scanning tunneling spectroscopy measurements for different terminating layers, and with our own photoemission measurements, which indicate the coexistence of spatial regions with different gaps in the electronic spectrum.
