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Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations
State of the art variable composition structure prediction based on density functional theory demonstrates that two new stoichiometries of PN, PN(3) and PN(2), become viable at high pressure. PN(3) has a skutterudite-like Immm structure and is metastable with positive phonon frequencies at pressures...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4115206/ https://www.ncbi.nlm.nih.gov/pubmed/25074347 http://dx.doi.org/10.1038/srep05889 |