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First-principles calculations of structural, electronic, magnetic and elastic properties of Mo(2)FeB(2) under high pressure

The structural, electronic, magnetic and elastic properties of Mo(2)FeB(2) under high pressure have been investigated with first-principles calculations. Furthermore, the thermal dynamic properties of Mo(2)FeB(2) were also studied with the quasi-harmonic Debye model. The volume of Mo(2)FeB(2) decrea...

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Detalles Bibliográficos
Autores principales:	Wang, Bin, Ma, Benyuan, Song, Wei, Fu, Zhe, Lu, Zhansheng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society Publishing 2018
Materias:	Physics
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6083659/ https://www.ncbi.nlm.nih.gov/pubmed/30109057 http://dx.doi.org/10.1098/rsos.172247

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