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Phase transformation B1 to B2 in TiC, TiN, ZrC and ZrN under pressure

Phase stability of various phases of MX (M=Ti, Zr; X=C, N) at equilibrium and under pressure is examined based on first-principles calculations of the electronic and phonon structures. The results reveal that all B1 (NaCl-type) MX structures undergo a phase transition to the B2-structures under high...

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Bibliographic Details
Main Authors: Ivashchenko, V.I., Turchi, P.E.A., Shevchenko, V.I.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2013
Series:Condensed Matter Physics
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/120835
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