Narrow-band anisotropic electronic structure of ReS2
Narrow-band anisotropic electronic structure of ReS2
复制标题
DOI：
10.1103/physrevb.96.085205
复制
发表时间：
2017-08-16
影响因子：
3.7
通讯作者：
King, P. D. C.
中科院分区：
文献类型：
--
作者：
Biswas, D.;Ganose, Alex M.;King, P. D. C.
我们用角分辨光电子能谱研究了具有畸变1T晶体结构的过渡金属二硫族化物半导体ReS_2的能带结构。我们发现了大量的窄价带，我们将其归因于结构扭曲和自旋轨道耦合的综合影响。我们进一步展示了这是如何导致电子结构的强面内各向异性的，与准一维频带反映主要跳跃沿着锯齿Re链。我们发现，这并不持续到价带的顶部，在那里一个更三维的字符是恢复与基本带隙位于远离布里渊区中心沿着k（z）。这些实验与我们的密度泛函理论计算结果非常一致，揭示了ReS2的体电子结构，以及当它变薄到单层时，它将如何演变。
We have used angle-resolved photoemission spectroscopy to investigate the band structure of ReS2, a transitionmetal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands, which we attribute to the combined influence of structural distortion and spin-orbit coupling. We further show how this leads to a strong in-plane anisotropy of the electronic structure, with quasi-one-dimensional bands reflecting predominant hopping along zigzag Re chains. We find that this does not persist up to the top of the valence band, where a more three-dimensional character is recovered with the fundamental band gap located away from the Brillouin zone center along k(z). These experiments are in good agreement with our density-functional theory calculations, shedding light on the bulk electronic structure of ReS2, and how it can be expected to evolve when thinned to a single layer.