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Effect of cation ordering on the electronic and lattice dynamic properties of Ag2CdGeS4 polytypes: First-principle calculation

โœ Scribed by Wei, Lei; Fan, Weiliu; Li, Yanlu; Zhao, Xian; Yang, Lei


Book ID
119937836
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
954 KB
Volume
201
Category
Article
ISSN
0022-4596

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## Abstract The large, negative, and asymmetric bandgap bowing in (GaAs)~1โ€“__x__~(Ge~2~)~__x__~ alloys is investigated as function of Ge concentration, via the combination of density functional theory and __GW__~0~ approach. We revealed that the large negative character of the gap bowing is due to