| Si(113)表面电子结构的研究 |
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| 引用本文： | 张瑞勤,王家俭,戴国才,吴汲安,张敬平,邢益荣.Si(113)表面电子结构的研究[J].半导体学报,1989,10(9):645-652. |
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| 作者姓名： | 张瑞勤 王家俭 戴国才 吴汲安 张敬平 邢益荣 |
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| 作者单位： | 山东大学物理系，山东大学物理系，山东大学物理系，中国科学院半导体研究所，中国科学院半导体研究所，中国科学院半导体研究所中国科学院表面物理实验室中国科学院海南分院 济南，济南，济南，北京，北京 |
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| 摘 要： | 采用Si_(16)H_(21)和Si_(31)H_(39)原子集团分别模拟Si(113)和Si(111)表面;通过半经验自洽CNDO法计算了两个体系的电子结构.结果表明,Si(113)具有与Si(111)不同的表面态特征.Si(113)表面台阶和台面原子上电荷重新分布,与悬键相关的表面电子态都强烈地定域在表面Si原子上,尤其局域在悬键方向上,并且具有比(111)面上更高的悬健态密度.理论计算结果能解释以前的光电子谱实验.
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| 关 键 词： | 硅 表面悬键态 电子结构 |
Study of Electronic Structure of Si(113) Surface |
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| Zhang Ruiqin/.Study of Electronic Structure of Si(113) Surface[J].Chinese Journal of Semiconductors,1989,10(9):645-652. |
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| Authors: | Zhang Ruiqin/ |
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| Institution: | Zhang Ruiqin/Department of Physics,Shandong University.JinanWang Jiajian/Department of Physics,Shandong University.JinanDai Guocai/Department of Physics,Shandong University.JinanWu Ji'an/Institute of Semiconductors,Academia Sinica,BeijingZhang Jingping/Institute of Semiconductors,Academia Sinica,BeijingXing Yirong/Institute of Semiconductors,Academia Sinica,Beijing, Laboratory for Surface Physics of Academia Sinica.Beijing,Hainan Branch of Academia Sinica,Haikou |
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| Abstract: | Electronic structure calculations of clusters Si_(16)H_(21) and Si_(37)H_(39) simulating Si(113) andSi(111) surfaces,respectively, have been carried out using semiempirical CNDO SCF method.The results indicate that the characters of surface states on Si(113) are different from thoseon Si (111). At the stepped and the terrace atoms, the charge are redistributed.The surfacestates relavent to dangling bonds are mostly localized at the surface atoms,especially concen-trated in directions of dangling bonds.The density of dangling bond surface states on Si(113) is larger than that on Si(111). Our calculated results can be used to explain the previousHel photoemission spectroscopy. |
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| Keywords: | Si High-Miller-index surface Dangling-bond surface states Density of state Localization |
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