MODELING POINT-DEFECTS DIFFUSION AND INTERACTION IN SILICON - THE TIGHT-BINDING MOLECULAR-DYNAMICS APPROACH

Authors
COLOMBO L BONGIORNO A
Citation
L. Colombo et A. Bongiorno, MODELING POINT-DEFECTS DIFFUSION AND INTERACTION IN SILICON - THE TIGHT-BINDING MOLECULAR-DYNAMICS APPROACH, Berichte der Bunsengesellschaft fur Physikalische Chemie, 101(9), 1997, pp. 1211-1214
Citations number
7
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
ISSN journal
00059021 → ACNP
Volume
101
Issue
9
Year of publication
1997
Pages
1211 - 1214
Database
ISI
SICI code
0005-9021(1997)101:9<1211:MPDAII>2.0.ZU;2-X
Abstract
In this work we discuss the application of tight-binding molecular dyn amics to the study of migration of intrinsic point defects in c-Si. In particular, we investigate self-diffusion and formation of vacancy cl usters. Furthermore, by means of Hartree-Fock calculations, we present a quantitative picture for the chemical bond in silicon when point de fects are present.