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Electronic Structure and Thermodynamic Properties of the Cubic Antiperovskite Compound InNCe(_{3})via First-Principles Calculations

โœ Scribed by Bettahar, N.; Nasri, D.; Benalia, S.; Merabet, M.; Abidri, B.; Benkhettou, N.; Khenata, R.; Rached, D.; Rabah, M.


Book ID
121008314
Publisher
Springer
Year
2013
Tongue
English
Weight
453 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