Ab initio calculation of intrinsic diffusion coefficients for boron in silicon at finite temperatures
文献类型:期刊论文
作者 | S. Y. Ma ; S. Q. Wang |
刊名 | European Physical Journal B
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出版日期 | 2009 |
卷号 | 72期号:4页码:567-573 |
关键词 | interstitial boron irradiated silicon point-defects phosphorus si pseudopotentials dopants |
ISSN号 | 1434-6028 |
中文摘要 | By determining the specific diffusion mechanism, the intrinsic diffusion coefficients for B in Si over a wide temperature range are calculated with an effective and reliable ab initio method under the condition of thermodynamics equilibrium. All the variables entering diffusion coefficients in the form of Arrhenius expression are determined. The calculated diffusion parameters and kinetic coefficients show excellent agreement with the accurate measurements. The good agreement between the calculational and experimental data confirms the interstitialcy mechanisms of B diffusion in Si and furthermore provides a straightforward and encouraging method to predict the kinetic diffusion coefficients and other properties of dopant in Si at finite temperatures. |
原文出处 | |
公开日期 | 2012-04-13 |
源URL | [http://210.72.142.130/handle/321006/32186] ![]() |
专题 | 金属研究所_中国科学院金属研究所 |
推荐引用方式 GB/T 7714 | S. Y. Ma,S. Q. Wang. Ab initio calculation of intrinsic diffusion coefficients for boron in silicon at finite temperatures[J]. European Physical Journal B,2009,72(4):567-573. |
APA | S. Y. Ma,&S. Q. Wang.(2009).Ab initio calculation of intrinsic diffusion coefficients for boron in silicon at finite temperatures.European Physical Journal B,72(4),567-573. |
MLA | S. Y. Ma,et al."Ab initio calculation of intrinsic diffusion coefficients for boron in silicon at finite temperatures".European Physical Journal B 72.4(2009):567-573. |
入库方式: OAI收割
来源:金属研究所
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