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- W2235331401 abstract "Ab initio models of Ge(x)As10Se(90-x), and Ge(x)Sb10Se(90-x) 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 behavior difference between GeAsSe and GeSbSe is shown to be due to the appearance of As-As-Se2 structural units beyond the MCN = 2.67 threshold in the GeAsSe glasses." @default.
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- W2235331401 date "2015-05-29" @default.
- W2235331401 modified "2023-10-16" @default.
- W2235331401 title "Ab Initio Comparison of Bonding Environments and Threshold Behavior in GexAs10Se90–x and GexSb10Se90–x Glass Models" @default.
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- W2235331401 doi "https://doi.org/10.1021/acs.jpca.5b00039" @default.
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