Stability and dynamics of frenkel pairs in si

被引：9

作者：

Beck, M. J.

Tsetseris, L.

Pantelides, S. T.

机构：

[1] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA

[2] Aristotle Univ Thessaloniki, Dept Phys, GR-54214 Thessaloniki, Greece

[3] Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW LETTERS | 2007年 / 99卷 / 21期

关键词：

D O I：

10.1103/PhysRevLett.99.215503

中图分类号：

O4 [物理学];

学科分类号：

0702 [物理学];

摘要：

Extensive experiments and calculation have shown that interstitials in p-Si diffuse athermally, leading to the conclusion that vacancy-interstitial pairs, or Frenkel pairs (FPs), either rapidly recombine or dissociate, even at cryogenic temperatures. More recent experiments, however, suggest that FPs persist to 150 K. Here we report first-principles calculations of FP properties and resolve the apparent conflict between experiments by showing that athermal interstitial diffusion is suppressed in proximal FPs due to vacancy-interstitial interactions.

引用

收藏

页数：4

相关论文

共 17 条

[1]

Atomic-scale mechanisms for low-NIEL dopant-type dependent damage in Si [J].

Beck, M. J. ;

Tsetseris, L. ;

Caussanel, M. ;

Schrimpf, R. D. ;

Fleetwood, D. M. ;

Pantelides, S. T. .

IEEE TRANSACTIONS ON NUCLEAR SCIENCE, 2006, 53 (06) :3621-3628

[2]

Bourgoin J. C., 1975, Lattice Defects in Semiconductors, 1974, P149

[3]

MICROSCOPIC THEORY OF ATOMIC DIFFUSION MECHANISMS IN SILICON [J].

CAR, R ;

KELLY, PJ ;

OSHIYAMA, A ;

PANTELIDES, ST .

PHYSICAL REVIEW LETTERS, 1984, 52 (20) :1814-1817

[4]

First-principles calculation of intrinsic defect formation volumes in silicon [J].

Centoni, SA ;

Sadigh, B ;

Gilmer, GH ;

Lenosky, TJ ;

de la Rubia, TD ;

Musgrave, CB .

PHYSICAL REVIEW B, 2005, 72 (19)

[5]

Vacancies and interstitial atoms in irradiated silicon [J].

Ehrhart, P ;

Zillgen, H .

DEFECTS AND DIFFUSION IN SILICON PROCESSING, 1997, 469 :175-186

[6]

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50

[7]

First-principles study of the self-interstitial diffusion mechanism in silicon [J].

Lee, WC ;

Lee, SG ;

Chang, KJ .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1998, 10 (05) :995-1002

[8]

MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI [10.1103/PhysRevB.13.5188, 10.1103/PhysRevB.16.1746]

[9]

First-principles calculations of self-interstitial defect structures and diffusion paths in silicon [J].

Needs, RJ .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1999, 11 (50) :10437-10450

[10]

Grazing incidence diffuse x-ray scattering investigation of the properties of irradiation-induced point defects in silicon [J].

Partyka, P ;

Zhong, Y ;

Nordlund, K ;

Averback, RS ;

Robinson, IM ;

Ehrhart, P .

PHYSICAL REVIEW B, 2001, 64 (23) :2352071-2352078