Phase diagram, mechanical properties, and electronic structure of Nb-N compounds under pressure

Phys. Chem. Chem. Phys., 2015, 17,22837-22845
DOI: 10.1039/C5CP02381E, Paper

Zhonglong Zhao, Kuo Bao, Fubo Tian, Defang Duan, Bingbing Liu, Tian Cui
New candidate Nb₂N, NbN₂, NbN₃, and NbN₄ compounds are uncovered at pressures of 0-100 GPa. It is found that the metallic bonding and the filling of Nb-N antibonding states play key roles in influencing the hardness.
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