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The predicted structural and electronic properties of HfB2 under high pressure: First-principles calculations

โœ Scribed by Ji-Dong Zhang; Xin-Lu Cheng


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
694 KB
Volume
405
Category
Article
ISSN
0921-4526

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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