Ab initio studies of hydrogen-enhanced oxygen diffusion in silicon

被引：5
|
作者：
Capaz, RB
Assali, LVC
Kimerling, LC
Cho, K
Joannopoulos, JD
机构：
[1] Univ Fed Rio de Janeiro, Inst Fis, BR-21945970 Rio De Janeiro, RJ, Brazil
[2] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, Brazil
[3] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA
[4] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA
[5] MIT, Dept Phys, Cambridge, MA 02139 USA
来源：
BRAZILIAN JOURNAL OF PHYSICS | 1999年 / 29卷 / 04期
关键词：
D O I：
10.1590/S0103-97331999000400002
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A novel microscopic mechanism for hydrogen-enhanced oxygen diffusion in p-doped silicon is proposed. A path for joint diffusion of O and H is obtained from an ab-initio molecular dynamics "kick" simulation. The migration pathway consists of a two-step mechanism, with a maximum energy of 1.46 eV. This path represents a 0.54 eV reduction in the static barrier when compared with the diffusion of isolated O in Si, in excellent agreement with experiments.
引用
收藏
页码：611 / 615
页数：5
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