Structural, mechanical, and electronic properties of Rh(2)B and RhB(2): first-principles calculations

The crystal structures of Rh(2)B and RhB(2) at ambient pressure were explored by using the evolutionary methodology. A monoclinic P2(1)/m structure of Rh(2)B was predicted and donated as Rh(2)B-I, which is energetically much superior to the previously experimentally proposed Pnma structure. At the p...

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Detalles Bibliográficos
Autores principales: Chu, Binhua, Li, Da, Tian, Fubo, Duan, Defang, Sha, Xiaojing, Lv, Yunzhou, Zhang, Huadi, Liu, Bingbing, Cui, Tian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4485199/
https://www.ncbi.nlm.nih.gov/pubmed/26123399
http://dx.doi.org/10.1038/srep10500

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