Ab initio calculation of intrinsic diffusion coefficients for boron in silicon at finite temperatures

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	Ab initio calculation of intrinsic diffusion coefficients for boron in silicon at finite temperatures; Ab initio calculation of intrinsic diffusion coefficients for boron in silicon at finite temperatures
	S. Y. Ma; S. Q. Wang
	2009 ; 2009
发表期刊	European Physical Journal B ; European Physical Journal B
ISSN	1434-6028 ; 1434-6028
卷号	72 期号:4 页码:567-573
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.; 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.
部门归属	[ma, s. -y.; wang, s. -q.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [ma, s. -y.] chinese acad sci, grad univ, beijing 100049, peoples r china.;ma, sy (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china;shyma@imr.ac.cn ; [ma, s. -y.; wang, s. -q.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [ma, s. -y.] chinese acad sci, grad univ, beijing 100049, peoples r china.;ma, sy (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china;shyma@imr.ac.cn
关键词	Interstitial Boron Interstitial Boron Irradiated Silicon Irradiated Silicon Point-defects Point-defects Phosphorus Phosphorus Si Si Pseudopotentials Pseudopotentials Dopants Dopants
URL	查看原文 ; 查看原文
WOS记录号	WOS:000272803300012 ; WOS:000272803300012
引用统计	被引频次：7[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32186
专题	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, Ab initio calculation of intrinsic diffusion coefficients for boron in silicon at finite temperatures[J]. European Physical Journal B, European Physical Journal B,2009, 2009,72, 72(4):567-573, 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.