Anisotropic electronic band structure of intrinsic Si(110) studied by angle-resolved photoemission spectroscopy and first-principles calculations
Anisotropic electronic band structure of intrinsic Si(110) studied by angle-resolved photoemission spectroscopy and first-principles calculations
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通过角分辨光电子能谱和第一性原理计算研究本征 Si(110) 的各向异性电子能带结构
DOI：
10.1103/physrevb.96.125302
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发表时间：
2017
影响因子：
3.7
通讯作者：
Suto Shozo
中科院分区：
文献类型：
--
作者：
Matsushita Stephane Yu;Takayama Akari;Kawamoto Erina;Hu Chunping;Hagiwara Satoshi;Watanabe Kazuyuki;Takahashi Takashi;Suto Shozo
在密度泛函理论和局域密度近似(LDA)框架下，用角度分辨光电子能谱(ARPES)和第一性原理计算研究了氢端Si(110)-()[H：Si(110)-()]表面的电子能带结构。体截断的H：Si(110)-()表面是研究本征Si(110)电子能带结构的良好模板。在ARPES谱中，由于H-H相互作用，观察到7个体态和1个表面态。由Sioritals组成的四个体态沿高度对称的方向呈现出各向异性的能带色散，其中一个态表现为一维特征。除表面态外，计算的能带结构与实验结果吻合较好。我们讨论了电子能带结构的确切性质和LDA的适用性。我们估算了用于器件应用的Si(110)电子和空穴的各向异性有效质量。
We have studied the electronic band structure of the hydrogen-terminated Si(110)-() [H:Si(110)-()] surface using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations in the framework of density functional theory with local density approximation (LDA). The bulk-truncated H:Si(110)-() surface is a good template to investigate the electronic band structure of the intrinsic Si(110). In the ARPES spectra, seven bulk states and one surface state due to the H-H interaction are observed clearly. The four bulk states consisting of Siorbitals exhibit anisotropic band dispersions along the high symmetric direction ofanddirections, where one state shows one-dimensional character. The calculated band structures show a good agreement with the experimental results except the surface state. We discuss the exact nature of electronic band structures and the applicability of LDA. We have estimated the anisotropic effective masses of electrons and holes of Si(110) for device application.