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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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Bibliografiset tiedot
Julkaisussa:Sci Rep
Päätekijät: Li, Xiaohong, Cui, Hongling, Zhang, Ruizhou
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Nature Publishing Group 2016
Aiheet:
Linkit: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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