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

页码：91 / 96

页数：6

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