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  • Point defects stabilise cubic Mo-N and Ta-N 

    Koutná, Nikola; Holec, David; Svoboda, Ondřej; Klimashin, Fedor; Mayrhofer, Paul (IOP PUBLISHING LTD, 2016-08-22)
    We employab initio calculations to investigate energetics of point defects in metastable rocksalt cubic Ta-N and Mo-N. Our results reveal a strong tendency to off-stoichiometry, i.e. defected structures are predicted to ...