E centers in ternary Si1-x-yGexSny random alloys

被引:66
作者
Chroneos, A. [1 ]
Jiang, C. [2 ]
Grimes, R. W. [1 ]
Schwingenschloegl, U. [1 ,3 ]
Bracht, H. [4 ]
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] KAUST, PCSE Div, Jeddah 21534, Saudi Arabia
[4] Univ Munster, Inst Mat Phys, D-48149 Munster, Germany
关键词
GROUP-IV SEMICONDUCTORS; OPTOELECTRONICS; GE(001);
D O I
10.1063/1.3224894
中图分类号
O59 [应用物理学];
学科分类号
摘要
Density functional theory calculations are used to study the association of arsenic (As) atoms to lattice vacancies and the formation of As-vacancy pairs, known as E centers, in the random Si0.375Ge0.5Sn0.125 alloy. The local environments are described by 32-atom special quasirandom structures that represent random Si1-x-yGexSny alloys. It is predicted that the nearest-neighbor environment will exert a strong influence on the stability of E centers in ternary Si0.375Ge0.5Sn0.125. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3224894]
引用
收藏
页数:3
相关论文
共 36 条
[1]   Voltage enhancement in quantum well solar cells [J].
Barnham, K ;
Connolly, J ;
Griffin, P ;
Haarpaintner, G ;
Nelson, J ;
Tsui, E ;
Zachariou, A ;
Osborne, J ;
Button, C ;
Hill, G ;
Hopkinson, M ;
Pate, M ;
Roberts, J ;
Foxon, T .
JOURNAL OF APPLIED PHYSICS, 1996, 80 (02) :1201-1206
[2]   Synthesis of ternary SiGeSn semiconductors on Si(100) via SnxGe1-x buffer layers [J].
Bauer, M ;
Ritter, C ;
Crozier, PA ;
Ren, J ;
Menendez, J ;
Wolf, G ;
Kouvetakis, J .
APPLIED PHYSICS LETTERS, 2003, 83 (11) :2163-2165
[3]   SnGe superstructure materials for Si-based infrared optoelectronics [J].
Bauer, MR ;
Cook, CS ;
Aella, P ;
Tolle, J ;
Kouvetakis, J ;
Crozier, PA ;
Chizmeshya, AVG ;
Smith, DJ ;
Zollner, S .
APPLIED PHYSICS LETTERS, 2003, 83 (17) :3489-3491
[4]   The vacancy in silicon: A critical evaluation of experimental and theoretical results [J].
Bracht, Hartmut ;
Chroneos, Alexander .
JOURNAL OF APPLIED PHYSICS, 2008, 104 (07)
[5]   Intrinsic and extrinsic diffusion of phosphorus, arsenic, and antimony in germanium [J].
Brotzmann, Sergej ;
Bracht, Hartmut .
JOURNAL OF APPLIED PHYSICS, 2008, 103 (03)
[6]   Germanium diffusion mechanisms in silicon from first principles [J].
Caliste, Damien ;
Pochet, Pascal ;
Deutsch, Thierry ;
Lancon, Frederic .
PHYSICAL REVIEW B, 2007, 75 (12)
[7]   Fundamental studies of P(GeH3)3, As(GeH3)3, and Sb(GeH3)3:: Practical n-dopants for new group IV semiconductors [J].
Chizmeshya, A. V. G. ;
Ritter, C. ;
Tolle, J. ;
Cook, C. ;
Menendez, J. ;
Kouvetakis, J. .
CHEMISTRY OF MATERIALS, 2006, 18 (26) :6266-6277
[8]   Defect interactions in Sn1-xGex random alloys [J].
Chroneos, A. ;
Jiang, C. ;
Grimes, R. W. ;
Schwingenschloegl, U. ;
Bracht, H. .
APPLIED PHYSICS LETTERS, 2009, 94 (25)
[9]   Nonlinear stability of E centers in Si1-xGex: Electronic structure calculations [J].
Chroneos, A. ;
Bracht, H. ;
Jiang, C. ;
Uberuaga, B. P. ;
Grimes, R. W. .
PHYSICAL REVIEW B, 2008, 78 (19)
[10]   Engineering the free vacancy and active donor concentrations in phosphorus and arsenic double donor-doped germanium [J].
Chroneos, A. ;
Grimes, R. W. ;
Bracht, H. ;
Uberuaga, B. P. .
JOURNAL OF APPLIED PHYSICS, 2008, 104 (11)