Vacancy-arsenic clusters in germanium

被引:74
作者
Chroneos, A. [1 ]
Grimes, R. W.
Uberuaga, B. P.
Brotzmann, S.
Bracht, H.
机构
[1] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2BP, England
[2] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA
[3] Univ Munster, Inst Mat Phys, D-48149 Munster, Germany
关键词
D O I
10.1063/1.2805773
中图分类号
O59 [应用物理学];
学科分类号
摘要
Electronic structure calculations are used to investigate the structures and relative energies of defect clusters formed between arsenic atoms and lattice vacancies in germanium and, for comparison, in silicon. It is energetically favorable to form clusters containing up to four arsenic atoms tetrahedrally coordinated around a vacancy. Using mass action analysis, the relative concentrations of arsenic atoms in different vacancy-arsenic clusters, unbound arsenic atoms, and unbound vacancies are predicted. At low temperatures the four arsenic-vacancy cluster is dominant over unbound vacancies while at higher temperatures unbound vacancies prevail. In terms of concentration, no intermediate size of cluster is ever of significance.
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页数:3
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