| Issue |
J. Phys. Colloques
Volume 44, Number C4, Septembre 1983
Colloque International du C.N.R.S. sur les Propriétés et Structure des Dislocations dans les Semiconducteurs / Properties and Structure of Dislocations in Semiconductors
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| Page(s) | C4-37 - C4-42 | |
| DOI | https://doi.org/10.1051/jphyscol:1983404 | |
Colloque International du C.N.R.S. sur les Propriétés et Structure des Dislocations dans les Semiconducteurs / Properties and Structure of Dislocations in Semiconductors
J. Phys. Colloques 44 (1983) C4-37-C4-42
DOI: 10.1051/jphyscol:1983404
1 Department of Metallurgy and Science of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, U.K.
2 CNR, Istituto Teoria Struttura Elettronica, Via Salaria Km 29.500, CP10, 00016 Monterotondo Stazione, Italy
3 CNR, Istituto di Metadologie Avanzata, Via Salaria Km 29.500, CP10, 00016 Monterotondo Stazione, Italy
J. Phys. Colloques 44 (1983) C4-37-C4-42
DOI: 10.1051/jphyscol:1983404
CORE STRUCTURE OF 90° PARTIAL DISLOCATIONS IN DIAMOND
K.W. Lodge1, A. Lapiccirella2, N. Tomassini3 et S.L. Altmann11 Department of Metallurgy and Science of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, U.K.
2 CNR, Istituto Teoria Struttura Elettronica, Via Salaria Km 29.500, CP10, 00016 Monterotondo Stazione, Italy
3 CNR, Istituto di Metadologie Avanzata, Via Salaria Km 29.500, CP10, 00016 Monterotondo Stazione, Italy
Résumé
Un champ de force de valence du type Lifson-Warshel est appliqué à un calcul de la structure du coeur d'une dislocation partielle de 90° dans le diamant. Les topologies de liaisons reconstruites et non reconstruites sont considérées et la différence d'énergie entre les deux structures est discutée.
Abstract
A valence force field of the Lifson-Warshel type is applied to a calculation of the core structure of the 90° partial dislocation in diamond. Both unreconstructed and reconstructed bonding topologies are considered and the energy difference between the two structures is discussed.