Interaction of Octahedral Bonds in Trans
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Ľubomı́r Benco
📂
Article
📅
1994
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Elsevier Science
🌐
English
⚖ 156 KB
Local-density total energy calculations within the parameterfree self-consistent augmented-spherical-wave method are performed on ordered nonstoichiometric rock-salt-type structures of \(\mathrm{VC}_{0.75}\) and \(\mathrm{VN}_{0.75}\). Starting from the idea of two kinds of building Inits, \(M_{t} X