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ChemInform Abstract: Preparation and Properties of Antiperovskite-Type Nitrides: InNNi3 and InNCo3.

โœ Scribed by W. H. Cao; B. He; C. Z. Liao; L. H. Yang; L. M. Zeng; C. Dong


Publisher
John Wiley and Sons
Year
2010
Weight
18 KB
Volume
41
Category
Article
ISSN
0931-7597

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Elastic properties and electronic struct
โœ Z.F. Hou ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 892 KB

We have performed first-principles calculations to study the elasticity, electronic structure, and magnetism of InNCo 3 and InNNi 3 . The independent elastic constants are derived from the second derivative of total energy as a function of strain, and the elastic moduli are predicted according to th