Abstract
We make a connection, via the calculation of the band energy, between the stability of MX1−α, ordered phases (M being a transition metal, X being C or N, and α the vacancy concentration) and effective pair interactions on the metalloïd sublattice of these NaCl type compounds.
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Landesman, J.P., Turchi, P., Ducastelle, F. et al. Electronic Structure and Stability of Vacancy-Ordered Compounds of Transition Metal Carbides and Nitrides. MRS Online Proceedings Library 21, 363–368 (1983). https://doi.org/10.1557/PROC-21-363
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DOI: https://doi.org/10.1557/PROC-21-363