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MOLECULAR DYNAMICS STRUCTURE SIMULATIONS OF AMORPHOUS SELENIUM PREPARED BY DIFFERENT METHODS

J. Hegedüs1, S. Kugler1,*

Affiliation

  1. Department of Theoretical Physics, Budapest University of Technology and Economics, H-1521 Budapest, Hungary

Abstract

Two different preparation methods, liquid-quenching and evaporation of amorphous selenium have been investigated by molecular dynamics simulations. We applied a classical empirical threebody potential of selenium to describe the interactions between atoms. Our particular aim was to determine how the structural changes occur due to the different preparation methods. Our simulation shows that a significant difference can be observed in the homogeneities..

Keywords

Molecular dynamics simulation, Amorphous selenium.

Submitted at: July 4, 2005
Accepted at: July 21, 2005

Citation

J. Hegedüs, S. Kugler, MOLECULAR DYNAMICS STRUCTURE SIMULATIONS OF AMORPHOUS SELENIUM PREPARED BY DIFFERENT METHODS, Journal of Optoelectronics and Advanced Materials Vol. 7, Iss. 4, pp. 1923-1928 (2005)