The miscibility of CuxAg1-xI using a Tersoff potential

Authors
Sekkal, W Laref, A Aourag, H Zaoui, A Certier, M
Citation
W. Sekkal et al., The miscibility of CuxAg1-xI using a Tersoff potential, SUPERLATT M, 28(1), 2000, pp. 55-66
Citations number
18
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SUPERLATTICES AND MICROSTRUCTURES
ISSN journal
07496036 → ACNP
Volume
28
Issue
1
Year of publication
2000
Pages
55 - 66
Database
ISI
SICI code
0749-6036(200007)28:1<55:TMOCUA>2.0.ZU;2-R
Abstract
Simulation methods have been used to study the miscibility of CuxAg1-xI bas ed on a Tersoff potential. Monte Carlo calculations show that CuxAg1-xI is a complete solid solution. This result agrees well with experiments using N MR and X-ray diffractions methods. Structural, elastic and thermodynamic pr operties are also predicted at 0.25, 0.5 and 0.75 using molecular dynamics simulations. (C) 2000 Academic Press.