Diffusion of tin in germanium: A GGA+U approach

被引：30

作者：

Tahini, H. ^{[1
]}

Chroneos, A. ^{[1
]}

Grimes, R. W. ^{[1
]}

Schwingenschloegl, U. ^{[2
]}

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2AZ, England

[2] KAUST, PSE Div, Thuwal 239556900, Saudi Arabia

来源：

APPLIED PHYSICS LETTERS | 2011年 / 99卷 / 16期

关键词：

density functional theory; diffusion; elemental semiconductors; Fermi level; germanium; gradient methods; tin; vacancies (crystal); AUGMENTED-WAVE METHOD; POINTS; GE; SI;

D O I：

10.1063/1.3653472

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 investigate the formation and diffusion of tin-vacancy pairs (SnV) in germanium (Ge). Depending upon the Fermi energy, SnV pairs can form in neutral, singly negative, or doubly negative charged states. The activation energies of diffusion, also as function of the Fermi energy, are calculated to lie between 2.48-3.65 eV, in agreement with and providing an interpretation of available experimental work. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3653472]

引用

页数：3

共 34 条

[1] 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

[2] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[3] 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)

[4] High-level incorporation of antimony in germanium by laser annealing [J].

Bruno, E. ;

Scapellato, G. G. ;

Bisognin, G. ;

Carria, E. ;

Romano, L. ;

Carnera, A. ;

Priolo, F. .

JOURNAL OF APPLIED PHYSICS, 2010, 108 (12)

[5] Isovalent impurity-vacancy complexes in germanium [J].

Chroneos, A. .

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2007, 244 (09) :3206-3210

[6] Effect of carbon on dopant-vacancy pair stability in germanium [J].

Chroneos, A. .

SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2011, 26 (09)

[7] Dopant-vacancy cluster formation in germanium [J].

Chroneos, A. .

JOURNAL OF APPLIED PHYSICS, 2010, 107 (07)

[8] Fluorine codoping in germanium to suppress donor diffusion and deactivation [J].

Chroneos, A. ;

Grimes, R. W. ;

Bracht, H. .

JOURNAL OF APPLIED PHYSICS, 2009, 106 (06)

[9] E centers in ternary Si1-x-yGexSny random alloys [J].

Chroneos, A. ;

Jiang, C. ;

Grimes, R. W. ;

Schwingenschloegl, U. ;

Bracht, H. .

APPLIED PHYSICS LETTERS, 2009, 95 (11)

[10] 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)

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