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

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

W Sekkal, A Laref, H Aourag, A Zaoui and M Certier
Journal of materials science. Materials in electronics, Vol.11(2), pp.123-129
01/03/2000
DOI: https://doi.org/10.1023/A:1008925330698

Abstract

Solid solutions Thermodynamics
Mixed CuBr^sub x^I^sub 1-x^ crystals are studied for x = 0.25, 0.5 and 0.75 using simulation methods based on a three-body potential. Monte Carlo calculations show that these crystals are solid solutions and are in good agreement with experimental results. Structural and thermodynamic properties are also investigated using molecular dynamics simulations.[PUBLICATION ABSTRACT]

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