Πλοήγηση ανά Θέμα "Generalized gradient approximations"
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Article
Ab-initio electronic structure calculations and properties of [SixSn1 − x]3N4 ternary nitrides
(2016)We carry out ab initio electronic structure calculations of (SixSn1 − x)3N4 using density functional theory with projector augmented-wave potentials under the generalized gradient approximation. We find that the energetically ...