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InSb(110)表面S,O原子吸附的第一性原理研究

物理学报, 2013, 62(20): 206102.
DOI: 10.7498/aps.62.206102
CSTR: 32037.14.aps.62.206102

The study of oxygen and sulfur adsorption on the InSb (110) surface, using first-principle energy calculations

Acta Phys. Sin., 2013, 62(20): 206102.
DOI: 10.7498/aps.62.206102
CSTR: 32037.14.aps.62.206102
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  • 摘要

    基于第一性原理方法, 采用广义梯度近似的交换关联势, 对InSb材料(110)表面的硫吸附和氧吸附之后体系性质的差异进行了分析. 讨论了两种吸附下的键长、键角、能带结构和态密度的变化, 从理论上论证了硫吸附比氧吸附对InSb红外探测器表面态的钝化有优越性, 有利于工艺上在钝化时的选择.

     

    Abstract

    In this paper, we analyze the difference between oxygen and sulfur adsorption on the InSb (110) surface by using the first-principles energy calculations. The merits of sulfur adsorption are demonstrated theoretically. Thus the reason why the sulfur passivation that is necessary in technology can be well explained.

     

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