Annealing of heavily arsenic-doped silicon: Electrical deactivation and a new defect complex.
Annealing of heavily arsenic-doped silicon: Electrical deactivation and a new defect complex.
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DOI：
10.1103/physrevlett.61.1282
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发表时间：
1988-09
影响因子：
8.6
通讯作者：
Pandey;Erbil;Cargill;Boehme;Vanderbilt
中科院分区：
文献类型：
--
作者：
Pandey;Erbil;Cargill;Boehme;Vanderbilt
从头算总能量计算表明，形成一个新的缺陷复合物，一个由四个砷原子包围的空位，是负责电失活和结构变化的测量中看到的扩展x射线吸收精细结构时，重砷掺杂硅退火。$v\ensuremath{-}{\mathrm{As}}_{4}$复合物在能量上优于Si中的替代孤立As和替代$\mathrm{S}\mathrm{i}\ensuremath{-}{\mathrm{As}}_{4}$配置，并且它是中性和电惰性的。这种缺陷的形成可能在硅和其他半导体中广泛发生。
Ab initio total-energy calculations indicate that the formation of a new defect complex, a vacancy surrounded by four arsenic atoms, is responsible for electrical deactivation and for structural changes seen in measurements of extended x-ray-absorption fine structure when heavily arsenic-doped silicon is annealed. The $v\ensuremath{-}{\mathrm{As}}_{4}$ complex is energetically favored over both substitutional, isolated As in Si and substitutional $\mathrm{S}\mathrm{i}\ensuremath{-}{\mathrm{As}}_{4}$ configurations, and it is neutral and electrically inactive. The formation of such defects may be a widespread occurrence in silicon and in other semiconductors.