Ab Initio Comparison of Bonding Environments and Threshold Behavior in Ge
xAs 10Se 90- x and Ge xSb 10Se 90- x Glass Models
Ab initio models of Ge<inf>x</inf>As<inf>10</inf>Se<inf>90-x</inf>, and Ge<inf>x</inf>Sb<inf>10</inf>Se<inf>90-x</inf> glasses are constructed, and their bonding environments are characterized and compared against each other and to recent experimental studies of equivalent glasses at the same stoichiometry and density. A minimum in the linear refractive index is found to correlate with a maximum in the number of length-one, predominantly Se, atomic chains for both glass types. The threshold...[Show more]
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|Source:||Journal of Physical Chemistry A|
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