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First principles studies of elastic and thermodynamic properties of fcc-VH2 with pressure and temperature

โœ Scribed by Zhang Zhijiao; Wang Feng; Zheng Zhou; Wang Jianjun; An Xinyou; Liao Guo; Ren Weiyi

Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
421 KB
Volume
406
Category
Article
ISSN
0921-4526

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First-principles calculation of elastic
First-principles calculation of elastic and thermodynamic properties of MgO and SrO under high pressure
โœ Yun-Dong Guo; Xin-Lu Cheng; Li-Ping Zhou; Zi-Jiang Liu; Xaing-Dong Yang ๐Ÿ“‚ Article ๐Ÿ“… 2006 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 162 KB

The elastic constants of B1-and B2-type MgO and SrO are calculated by a first-principles method at ambient condition. For B1-type MgO and SrO, the dependence of the elastic constants, the bulk modulus B, the shear constants c S and the Cauchy relation on the applied pressure are presented. The calcu