Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations
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چکیده
منابع مشابه
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, PN3 and PN2, become viable at high pressure. PN3 has a skutterudite-like Immm structure and is metastable with positive phonon frequencies at pressures between 10 and 100 GPa. PN3 is metallic and is the first reported nitrogen-based skutterudite. Its met...
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ژورنال
عنوان ژورنال: Scientific Reports
سال: 2014
ISSN: 2045-2322
DOI: 10.1038/srep05889