Journal
PHYSICAL REVIEW B
Volume 68, Issue 16, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.68.165208
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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.
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