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Structural and thermodynamic properties of Os from first-principles calculations

✍ Scribed by Chun-Mei Liu; Yan Cheng; Bo Zhu; Guang-Fu Ji


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
364 KB
Volume
406
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