S. SENTURK DALGIC^1,* , U. DOMEKELI¹

Abstract

Using the effective potentials derived from the modified analytic Embedded Atom Method (MAEAM) in conjunction with the Variational Hypenetted Chain (VMHNC) liquid state theory, we have investigated the structure and atomic dynamics of liquid GaSb alloy near and above the melting point. The effective pair potentials have constructed from the MAEAM potential functions which are parameterized by fitting to both solid and liquid state properties of pure metals. The calculated partial pair correlation functions and static structure factors of liquid GaSb alloy near its melting have compared with experiment and the results of MD studies. The total structure factors of molten GaSb have computed at three different temperatures. The overall agreement has been found in reported works. The dynamical properties evaluated within the framework of the mode-coupling theory, using a self-consistent scheme have been also presented. The single-particle dynamics of the system has been analyzed by computing the mean square displacement (MSD) and velocity autocorrelation function (VACF). Temperature dependence of self diffusion coefficient and shear viscosity have also been shown. The collective dynamic properties such as the intermediate scattering function and the dynamic structure factor have determined..

Keywords

Liquid GaSb alloy, Static and dynamic structural properties.

Submitted at: July 3, 2007
Accepted at: Oct. 15, 2007

Citation

S. SENTURK DALGIC, U. DOMEKELI, Static and dynamic structure of liquid GaSb using the modified embedded atom method (MAEAM) potentials, Journal of Optoelectronics and Advanced Materials Vol. 9, Iss. 10, pp. 3285-3292 (2007)

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