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First-principles calculations of optical properties of perfect and defective MgO crystals at high pressure

โœ Scribed by He, L.; Tang, M.J.; Zeng, M.F.; Zhou, X.M.; Zhu, W.J.; Liu, F.S.


Book ID
118264278
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
316 KB
Volume
410
Category
Article
ISSN
0921-4526

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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