Ab-initio pseudopotential calculations of boron diffusion in silicon

被引:6
作者
Windl, W [1 ]
Bunea, MM [1 ]
Stumpf, R [1 ]
Dunham, ST [1 ]
Masquelier, MP [1 ]
机构
[1] Motorola Inc, Computat Mat Grp, Los Alamos, NM 87545 USA
来源
SI FRONT-END PROCESSING-PHYSICS AND TECHNOLOGY OF DOPANT-DEFECT INTERACTIONS | 1999年 / 568卷
关键词
D O I
10.1557/PROC-568-91
中图分类号
TM [电工技术]; TN [电子技术、通信技术];
学科分类号
0808 ; 0809 ;
摘要
In this work we investigate boron diffusion as a function of the Fermi-level position in crystalline silicon using ab-initio calculations and the nudged elastic band method to optimize diffusion paths. Based on our results, a new mechanism for B diffusion mediated by Si self-interstitials is proposed. We find a two-step diffusion process for all Fermi-level positions, which suggests a kick-out with a directly following kick-in process without extensive B diffusion on interstitial sites in-between. Our activation energy of 3.47 - 3.75 eV and diffusion-length exponent of -0.55 to -0.18 eV are in excellent agreement with experiment.
引用
收藏
页码:91 / 96
页数:6
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