Oxygen '96
Early Stages of Oxygen Precipitation in Silicon
MOLECULAR DYNAMICS STUDY OF OXYGEN DEFECTS IN SILICON
P. Grönberg
(a),
J. von Boehm (b) and
R. M. Nieminen (a)
(a) Laboratory of Physics, Helsinki University of Technology, 02150
Espoo, Finland
(b) Laboratory of Computational Dynamics, Helsinki University of
Technology, 02150 Espoo, Finland
Keywords: oxygen complexes, silicon, molecular dynamics, diffusion
The constant-temperature-constant-pressure (NpT) molecular dynamics
method in conjunction with the classical Jiang-Brown interaction model
has been adopted for investigating oxygen-related defects in silicon,
including vacancy-oxygen and interstitial-oxygen complexes. The first
results will be presented and analysed, with a comparison to ab
initio calculations where those are available. The studies are
being extended to include intrinsic and anomalous oxygen diffusion in
bulk silicon as well as oxygen clustering. This work is supported
by a grant from VTT Electronics, Espoo, Finland.
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Last modified: Mon Feb 19 12:11:14 GMT 1996
JG
