Vacancy-mediated dopant diffusion activation enthalpies for germanium

被引:125
作者
Chroneos, A. [1 ]
Bracht, H. [1 ]
Grimes, R. W. [2 ]
Uberuaga, B. P. [3 ]
机构
[1] Univ Munster, Inst Mat Phys, D-48149 Munster, Germany
[2] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2BP, England
[3] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA
基金
英国工程与自然科学研究理事会;
关键词
D O I
10.1063/1.2918842
中图分类号
O59 [应用物理学];
学科分类号
摘要
Electronic structure calculations are used to predict the activation enthalpies of diffusion for a range of impurity atoms (aluminium, gallium, indium, silicon, tin, phosphorus, arsenic, and antimony) in germanium. Consistent with experimental studies, all the impurity atoms considered diffuse via their interaction with vacancies. Overall, the calculated diffusion activation enthalpies are in good agreement with the experimental results, with the exception of indium, where the most recent experimental study suggests a significantly higher activation enthalpy. Here, we predict that indium diffuses with an activation enthalpy of 2.79 eV, essentially the same as the value determined by early radiotracer studies. (C) 2008 American Institute of Physics.
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页数:3
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