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The elastic and thermodynamic properties of antiperovskites: MCNi3

โœ Scribed by Nupinderjeet Kaur; Rajneesh Mohan; N.K. Gaur; R.K. Singh


Book ID
116605803
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
540 KB
Volume
491
Category
Article
ISSN
0925-8388

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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