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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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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4485199/ https://ncbi.nlm.nih.gov/pubmed/26123399 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep10500 |
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