"

Cookies ussage consent

Our site saves small pieces of text information (cookies) on your device in order to deliver better content and for statistical purposes. You can disable the usage of cookies by changing the settings of your browser. By browsing our site without changing the browser settings you grant us permission to store that information on your device.

I agree, do not show this message again.

SEMI-EMPIRICAL POTENTIALS FOR CuI

S. S. Dalgic1,* , H. Gurbuz2, M. Caliskan3, O. Ozgec3

Affiliation

  1. ICPAM, Trakya University, P.K. 126, 22030 Edirne, Turkey
  2. Department of Physics, Yildiz Technical University, Istanbul, Turkey
  3. Department of Physics, Trakya University, 22030 Edirne, Turkey

Abstract

We have investigated the prospects for developing semi-empirical model potentials for use in the studies of structural properties of CuI with integral equation theories. The point of view adopted requires that only short range two atom and three atom interactions appear. A three-body potential of Tersoff has been tasted with the hypernetted chain integral equation by calculating the pair correlation function for CuI at 710 K. The two-body and three-body Kohen -Tully-Stillinger empirical interatomic potential has been applied. The structural results of liquid CuI have been compared with experiment and those obtained by rigid ion potentials..

Keywords

Semi–empirical potentials, CuI, Structure.

Submitted at: May 27, 2005
Accepted at: July 21, 2005

Citation

S. S. Dalgic, H. Gurbuz, M. Caliskan, O. Ozgec, SEMI-EMPIRICAL POTENTIALS FOR CuI, Journal of Optoelectronics and Advanced Materials Vol. 7, Iss. 4, pp. 2059-2068 (2005)