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First-Principles Investigation of Thermophysical Properties of Cubic ZrC Under High Pressure

โœ Scribed by Rathod, Nikita; Gupta, Sanjeev K.; Shinde, Satyam; Jha, Prafulla K.


Book ID
121610718
Publisher
Springer
Year
2013
Tongue
English
Weight
385 KB
Volume
34
Category
Article
ISSN
0195-928X

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The structural, electronic and thermodynamic properties of cubic Zn 3 N 2 under hydrostatic pressure up to 80 GPa are investigated using the local density approximation method with pseudopotentials of the ab initio norm-conserving full separable Troullier-Martin scheme in the frame of density functi