First-principles study of boron diffusion in silicon

被引：217
|
作者：
Windl, W
Bunea, MM
Stumpf, R
Dunham, ST
Masquelier, MP
机构：
[1] Motorola Inc, Computat Mat Grp, Los Alamos, NM 87545 USA
[2] Boston Univ, Dept Phys, Boston, MA 02215 USA
[3] Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA
来源：
PHYSICAL REVIEW LETTERS | 1999年 / 83卷 / 21期
关键词：
D O I：
10.1103/PhysRevLett.83.4345
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
In this Letter we investigate boron diffusion as a function of the Fermi-level position in crystalline icon using nb initio calculations. Based on our results, a new mechanism for B diffusion mediated by Si self-interstitials is proposed. Rather than kick out of B into a mobile channel, we find a direct diffusion mechanism for the boron-interstitial pair for all Fermi-level positions. Our activation energy of 3.5-3.8 eV, migration barrier of 0.4-0.7 eV, and diffusion-length exponent of -0.6 to -0.2 eV are in excellent agreement with experiment.
引用
收藏
页码：4345 / 4348
页数：4
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