Concentration of intrinsic defects and self-diffusion in GaSb

被引:21
作者
Chroneos, A. [1 ]
Bracht, H. [1 ]
机构
[1] Univ Munster, Inst Mat Phys, D-48149 Munster, Germany
关键词
D O I
10.1063/1.3010300
中图分类号
O59 [应用物理学];
学科分类号
摘要
Early experiments have determined that the gallium and antimony diffusivities in gallium antimonide are similar, whereas recent more precise studies demonstrate that gallium diffuses up to three orders of magnitude faster than antimony. In the present study using electronic structure calculations we predict the concentrations and migration enthalpy barriers of important defects in gallium antimonide. It is predicted that the asymmetric self-diffusion in gallium antimonide is due to the insufficient concentration of the point defects that can facilitate the antimony transport. The results are in excellent agreement with the recent experimental evidence and theoretical studies in gallium antimonide and related materials. (c) 2008 American Institute of Physics. [DOI: 10.1063/1.3010300]
引用
收藏
页数:5
相关论文
共 40 条
[1]   Intrinsic point defects in aluminum antimonide [J].
Aberg, Daniel ;
Erhart, Paul ;
Williamson, Andrew J. ;
Lordi, Vincenzo .
PHYSICAL REVIEW B, 2008, 77 (16)
[2]   Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects [J].
Batista, Enrique R. ;
Heyd, Jochen ;
Hennig, Richard G. ;
Uberuaga, Blas P. ;
Martin, Richard L. ;
Scuseria, Gustavo E. ;
Umrigar, C. J. ;
Wilkins, John W. .
PHYSICAL REVIEW B, 2006, 74 (12)
[3]   Theory of self-diffusion in GaAs [J].
Bockstedte, M ;
Scheffler, M .
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 1997, 200 :195-207
[4]   Large disparity between gallium and antimony self-diffusion in gallium antimonide [J].
Bracht, H ;
Nicols, SP ;
Walukiewicz, W ;
Silveira, JP ;
Briones, F ;
Haller, EE .
NATURE, 2000, 408 (6808) :69-72
[5]   Zinc diffusion in gallium arsenide and the properties of gallium interstitials [J].
Bracht, H ;
Brotzmann, S .
PHYSICAL REVIEW B, 2005, 71 (11)
[6]   Self-diffusion in 69Ga121Sb/71Ga123Sb isotope heterostructures [J].
Bracht, H ;
Nicols, SP ;
Haller, EE ;
Silveira, JP ;
Briones, F .
JOURNAL OF APPLIED PHYSICS, 2001, 89 (10) :5393-5399
[7]   The vacancy in silicon: A critical evaluation of experimental and theoretical results [J].
Bracht, Hartmut ;
Chroneos, Alexander .
JOURNAL OF APPLIED PHYSICS, 2008, 104 (07)
[8]   Diffusion and defect reactions between donors, C, and vacancies in Ge. I. Experimental results [J].
Brotzmann, S. ;
Bracht, H. ;
Hansen, J. Lundsgaard ;
Larsen, A. Nylandsted ;
Simoen, E. ;
Haller, E. E. ;
Christensen, J. S. ;
Werner, P. .
PHYSICAL REVIEW B, 2008, 77 (23)
[9]   Atomic scale simulations of donor-vacancy pairs in germanium [J].
Chroneos, A. ;
Grimes, R. W. ;
Tsamis, C. .
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2007, 18 (07) :763-768
[10]   Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes [J].
Chroneos, A. ;
Grimes, R. W. ;
Uberuaga, B. P. ;
Bracht, H. .
PHYSICAL REVIEW B, 2008, 77 (23)