Realistic models of binary glasses from models of tetrahedral amorphous semiconductors

De Nyago Tafen and D. A. Drabold
Phys. Rev. B 68, 165208 – Published 29 October 2003
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Abstract

We present an approach for modeling binary glasses beginning with models of tetrahedral amorphous semiconductors and report models of glassy GeSe2,SiSe2,SiO2, and GeSe4. The topology of our models are analyzed through partial pair correlations and static structure factors. Structural properties, including the first sharp diffraction peak, electronic and vibrational properties are all in agreement with experiment. Our approach is simpler and faster than traditional melt-quench simulations and emphasizes the importance of correct topology of starting structure for successful modeling.

  • Received 3 July 2003

DOI:https://doi.org/10.1103/PhysRevB.68.165208

©2003 American Physical Society

Authors & Affiliations

De Nyago Tafen and D. A. Drabold

  • Department of Physics and Astronomy, Ohio University, Athens, Ohio 45701, USA

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Vol. 68, Iss. 16 — 15 October 2003

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