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First-principles study of the electronic and optical properties of a new metallic MoAlB
The structural, elastic, electronic and optical properties of MoAlB were investigated by first-principles calculations. The hardness of MoAlB is 12.71 GPa, which is relatively softer and easily machinable compared to the other borides. The analysis of the band structure and density (DOS) of states i...
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| Publicat a: | Sci Rep |
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| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Nature Publishing Group
2016
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5177879/ https://ncbi.nlm.nih.gov/pubmed/28004833 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep39790 |
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