Third Order Elastic Constants and Debye Temperature of MgB2 Under Different Pressure: First-Principles Methods
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- 作者：Ke Wang ; Xiaozhi Wu ; Weiguo Li ; Rui Wang…
- 关键词：MgB2 ; Elastic constants ; Anderson ; Grüneisen parameter ; Debye temperature
- 刊名：Journal of Superconductivity Incorporating Novel Magnetism
- 出版年：2015
- 出版时间：May 2015
- 年：2015
- 卷：28
- 期：5
- 页码：1483-1489
- 全文大小：650 KB
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- 刊物主题：Physics
Superconductivity, Superfluidity and Quantum Fluids
Magnetism and Magnetic Materials
Condensed Matter
Characterization and Evaluation Materials- 出版者：Springer New York
- ISSN：1557-1947
文摘
The second-order elastic constants (SOECs) and third-order elastic constants (TOECs) of superconducting MgB2 are investigated by first principles methods combined with homogeneous deformation theory. The Anderson-Grüneisen parameter is obtained from the SOECs and TOECs. The obtained value is 2.13, that is in consistent with the experimental result. The effective elastic constants and Debye temperature are also predicted from SOECs and TOECs, which increase with the increasing of pressure.