Electronic and Mechanical Properties of Tetragonal Nb2Al Under High Pressure: First-Principles Calculations
We have investigated the structure, density of states, mechanical stability, elastic properties, and Debye temperature of tetragonal Nb2Al under high pressure using the generalized gradient approximation WC (GGA-WC) functional within density functional theory (DFT). Our obtained lattice constants we...
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| Опубликовано в:: | Brazilian Journal of Physics |
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| Главные авторы: | , , , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Sociedade Brasileira de Física
2016
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| Предметы: | |
| Online-ссылка: | https://www.redalyc.org/articulo.oa?id=46444888012 |
| Метки: |
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