| 硅表面上电荷分布的晶向关系 |
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| 引用本文： | 张瑞勤.硅表面上电荷分布的晶向关系[J].山东大学学报(理学版),1991(4). |
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| 作者姓名： | 张瑞勤 |
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| 作者单位： | 山东大学光电材料与器件研究所 |
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| 摘 要： | 本文分别用Si_(16)H_(21)模拟Si(113),Si_(35)H_(30)模拟Si(112)高密勒指数表面,用Si_(37)H_(39)模拟Si(111)及Si_(19)H_(18)模拟Si(100)表面.通过SCF-LCAC-CNDO理论计算,研究了各种表面上的净电荷分布.发现,各种表面上存在不同程度且不同分布的净电荷,表面原子sp~3轨道中的电荷做了重新分布,净电荷较多地局域在悬键方向上.表面上台阶的存在强烈地影响着表面净电荷转移的性质.此现象在Si(112)面上尤其突出.本文据此解释了不同晶面上附加表面电偶极子及态密度等实验结果.
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| 关 键 词： | 高指数晶面 台阶原子 净电荷 表面偶极子 |
NET CHARGE DISTRIBUTION ON SILICON SURFACE |
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| Zhang Ruiqin.NET CHARGE DISTRIBUTION ON SILICON SURFACE[J].Journal of Shandong University,1991(4). |
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| Authors: | Zhang Ruiqin |
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| Abstract: | The cluster models of a series of silicon surface are built. Calculation with the SCF-LCAO-CNDO are performed, and the net charge distributions on these surfaces are obtained. The results arc that, net charges are exist on the surfaces, the charge at the sp3 orbital of the surface atom is redistributed and localizes a lot at the dangling bond, the exist of stepped atom on surface influences the charge transfer a lot. This feature is more evident on Si (112) surface. The results can give the origin of the surface dipole on silicon surface and can be used to explain the experiment of the snrface dipole, as well as the measurements of density of states. |
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| Keywords: | high miller index surface stepped atom net charge surface dipole |
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