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ChemInform Abstract: Bond Strength and Thermal Stability of Transition Metal Nitrides

✍ Scribed by M. TAKAHASHI; G.-C. LAI; K. OHTA; F. KANAMARU

Publisher
John Wiley and Sons
Year
2010
Weight
25 KB
Volume
29
Category
Article
ISSN
0931-7597

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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