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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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Publicado no: | Brazilian Journal of Physics |
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Main Authors: | , , , , , , |
Formato: | Artigo |
Idioma: | Inglês |
Publicado em: |
Sociedade Brasileira de Física
2016
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Assuntos: | |
Acesso em linha: | https://www.redalyc.org/articulo.oa?id=46444888012 |
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