Two-dimensional states localized in subsurface layers of Ge(111)
Two-dimensional states localized in subsurface layers of Ge(111)
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DOI：
10.1103/physrevb.88.245310
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发表时间：
2013-12-31
影响因子：
3.7
通讯作者：
Aruga, Tetsuya
中科院分区：
文献类型：
--
作者：
Ohtsubo, Yoshiyuki;Yaji, Koichiro;Aruga, Tetsuya
用密度泛函理论计算了Ge（111）衬底亚表面二维表面态的起源，并与角分辨光电子能谱的实验结果进行了比较.对于Bi/Ge（111）-（root 3 × root 3）R30度，Br/Ge（111）-（1x 1）和Tl/Ge（111）-（1x 1）表面，我们发现表面态可以分为三类.每个能带的能量色散和轨道特征暗示了次表面态与体重空穴、轻空穴和自旋轨道分裂带之间的关系。这些结果表明，次表面状态起源于体带的扰动，由于在表面的三维周期性的截断。
The origin of the two-dimensional surface states localized in subsurface regions of the Ge(111) substrate has been studied by density-functional-theory calculations, which were compared with the experimental results of angle-resolved photoelectron spectroscopy. For the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and Tl/Ge(111)-(1x1) surfaces, we found that the surface states are classified into three groups. The energy dispersion and the orbital character for each band implies the relationship between the subsurface states and the bulk heavy-hole, light-hole, and spin-orbit split-off bands. These results indicate that the subsurface states originate from the bulk bands that are perturbed due to the truncation of the three-dimensional periodicity at the surface.