The miscibility of copper halides using a three-body potential. Part II. CuBrxI1-x crystal

Authors
Sekkal, W Laref, A Aourag, H Zaoui, A Certier, M
Citation
W. Sekkal et al., The miscibility of copper halides using a three-body potential. Part II. CuBrxI1-x crystal, J MAT S-M E, 11(2), 2000, pp. 123-129
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
ISSN journal
09574522 → ACNP
Volume
11
Issue
2
Year of publication
2000
Pages
123 - 129
Database
ISI
SICI code
0957-4522(200003)11:2<123:TMOCHU>2.0.ZU;2-V
Abstract
Mixed CuBrx I1-x crystals are studied for x = 0.25, 0.5 and 0.75 using simu lation methods based on a three-body potential. Monte Carlo calculations sh ow that these crystals are solid solutions and are in good agreement with e xperimental results. Structural and thermodynamic properties are also inves tigated using molecular dynamics simulations.