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Theoretical Calculations for Structural, Elastic and Thermodynamic Properties of MgB 2 under High Pressure

✍ Scribed by Hai-Yan, Wang; Yan, Cheng; Xiang-Rong, Chen; Qing-Quan, Gou


Book ID
125851362
Publisher
IOP Publishing
Year
2006
Tongue
English
Weight
290 KB
Volume
45
Category
Article
ISSN
0253-6102

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First-principles calculation of elastic
✍ Yun-Dong Guo; Xin-Lu Cheng; Li-Ping Zhou; Zi-Jiang Liu; Xaing-Dong Yang πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 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