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Phase Diagram, Mechanical Properties, and Electronic Structure of Nb-N Compounds under Pressure

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Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP02381E, Paper
Zhonglong Zhao, Kuo Bao, Fubo Tian, Defang Duan, Bingbing Liu, Tian Cui
Niobium - nitrogen compounds, which are potential candidates for superhard multifunctional materials, may possess multiple stoichiometries and structures under pressure. Based on ab-initio evolutionary structural searches, we predict three ground...
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