Arsenic segregation, pairing and mobility on the cores of partial dislocations in silicon

被引:6
作者
Antonelli, A
Justo, JF
Fazzio, A
机构
[1] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil
[2] Univ Sao Paulo, Escola Politecn, BR-05424970 Sao Paulo, Brazil
[3] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil
关键词
D O I
10.1088/0953-8984/14/48/314
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We studied the effects of arsenic on properties of dislocations in silicon. The theoretical investigation was carried out using ab initio total energy methods, based on the density functional theory. We find that the interaction of an arsenic impurity in the crystal with a dislocation results in a charge exchange, driving the dislocation core to a negative charge state. This interaction is essentially electrostatic and attractive, and leads to arsenic segregation. Although arsenic segregation to the core is energetically favourable, formation of arsenic pairs inside the core is energetically unfavourable. We also investigated the role of vacancies in arsenic diffusion inside the dislocation core.
引用
收藏
页码:12761 / 12765
页数:5
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