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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
Autors principals: Li, Xiaohong, Cui, Hongling, Zhang, Ruizhou
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group 2016
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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