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Structure and mechanical properties of tantalum mononitride under high pressure: A first-principles study
The structure and mechanical properties of tantalum mononitride (TaN) are investigated at high pressure from first-principles using the plane wave pseudopotential method within the local density approximation. Three stable phases were considered, i.e., two hexagonal phases (ε and θ) and a cubic δ ph...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3494707/ https://ncbi.nlm.nih.gov/pubmed/23185097 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4759279 |
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