Molecular simulation study of miscibility in In xGa 1-xN ternary alloys

Jhumpa Adhikari; David A. Kofke

doi:10.1063/1.1686897

Molecular simulation study of miscibility in In _xGa _1-xN ternary alloys

Jhumpa Adhikari
, David A. Kofke

Department of Chemical and Biological Engineering

SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

32 Scopus citations

Abstract

The miscibility behavior of a valence force-field model of InGaN alloy as a function of temperature was studied. Monte Carlo molecular simulation was applied to calculate miscibility behavior of a valence force-field model of InGaN alloy. The excess enthalpy and entropy provide a direct indication of the validity of regular solution theory. The results show that the excess entropy is small and the excess enthalpy is insensitive to temperature.

Original language	English
Pages (from-to)	4500-4502
Number of pages	3
Journal	Journal of Applied Physics
Volume	95
Issue number	8
DOIs	https://doi.org/10.1063/1.1686897
State	Published - Apr 15 2004

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title = "Molecular simulation study of miscibility in In xGa 1-xN ternary alloys",

abstract = "The miscibility behavior of a valence force-field model of InGaN alloy as a function of temperature was studied. Monte Carlo molecular simulation was applied to calculate miscibility behavior of a valence force-field model of InGaN alloy. The excess enthalpy and entropy provide a direct indication of the validity of regular solution theory. The results show that the excess entropy is small and the excess enthalpy is insensitive to temperature.",

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N2 - The miscibility behavior of a valence force-field model of InGaN alloy as a function of temperature was studied. Monte Carlo molecular simulation was applied to calculate miscibility behavior of a valence force-field model of InGaN alloy. The excess enthalpy and entropy provide a direct indication of the validity of regular solution theory. The results show that the excess entropy is small and the excess enthalpy is insensitive to temperature.

AB - The miscibility behavior of a valence force-field model of InGaN alloy as a function of temperature was studied. Monte Carlo molecular simulation was applied to calculate miscibility behavior of a valence force-field model of InGaN alloy. The excess enthalpy and entropy provide a direct indication of the validity of regular solution theory. The results show that the excess entropy is small and the excess enthalpy is insensitive to temperature.

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DO - 10.1063/1.1686897

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Molecular simulation study of miscibility in In _xGa _1-xN ternary alloys

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