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First-Principles Calculations on Structure, Elastic and Thermodynamic Properties of Al2X (X=Sc, Y) under Pressure

✍ Scribed by Yasemin Öztekin Çiftci; Kemal Çolakoğlu; Engin Deligöz; Ülku Bayhan

Book ID
117695208
Publisher
Allerton Press Inc
Year
2012
Tongue
English
Weight
539 KB
Volume
28
Category
Article
ISSN
1005-0302

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✍ Yun-Dong Guo; Xin-Lu Cheng; Li-Ping Zhou; Zi-Jiang Liu; Xaing-Dong Yang 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 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