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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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| Publicado no: | R Soc Open Sci |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society Publishing
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6083659/ https://ncbi.nlm.nih.gov/pubmed/30109057 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsos.172247 |
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