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Title: Reverse Monte Carlo simulation of Se{sub 80}Te{sub 20} and Se{sub 80}Te{sub 15}Sb{sub 5} glasses

Two-dimensional Monte Carlo of the total pair distribution functions g(r) is determined for Se{sub 80}Te{sub 20} and Se{sub 80}Te{sub 15}Sb{sub 5} alloys, and then it used to assemble the three-dimensional atomic configurations using the reverse Monte Carlo simulation. The partial pair distribution functions g{sub ij}(r) indicate that the basic structure unit in the Se{sub 80}Te{sub 15}Sb{sub 5} glass is di-antimony tri-selenide units connected together through Se-Se and Se-Te chain. The structure of Se{sub 80}Te{sub 20} alloys is a chain of Se-Te and Se-Se in addition to some rings of Se atoms.
Authors:
;  [1] ;  [2]
  1. Physics Department, Faculty of Science , Assiut University, Assiut, P.O. Box 71516 (Egypt)
  2. Faculty of Science, King Abdul Aziz Univ., Rabigh Branch, P.O. Box 433 (Saudi Arabia)
Publication Date:
OSTI Identifier:
22261719
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1569; Journal Issue: 1; Conference: 3. international advances in applied physics and materials science congress, Antalya (Turkey), 24-28 Apr 2013; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ALLOYS; ANTIMONY; COMPUTERIZED SIMULATION; DISTRIBUTION FUNCTIONS; GLASS; MONTE CARLO METHOD; THREE-DIMENSIONAL CALCULATIONS