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...

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Detalles Bibliográficos
Autores principales: Raza, Zamaan, Errea, Ion, Oganov, Artem R., Saitta, A. Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4115206/
https://www.ncbi.nlm.nih.gov/pubmed/25074347
http://dx.doi.org/10.1038/srep05889

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