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Ab Initio Comparison of Bonding Environments and Threshold Behavior in GexAs10Se90- x and GexSb10Se90- x Glass Models

Opletal, G; Drumm, Daniel; Petersen, Timothy C.; Wang, Rongping; Russo, Salvy P


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]

CollectionsANU Research Publications
Date published: 2015
Type: Journal article
Source: Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.5b00039


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