Publication Date:
2014-11-06
Description:
Author(s): Liangcai Zhou, Fritz Körmann, David Holec, Matthias Bartosik, Blazej Grabowski, Jörg Neugebauer, and Paul H. Mayrhofer The dynamical and thermodynamic phase stabilities of the stoichiometric compound CrN including different structural and magnetic configurations are comprehensively investigated using a first-principles density functional theory (DFT) plus U (DFT+U) approach in conjunction with experimental measureme... [Phys. Rev. B 90, 184102] Published Wed Nov 05, 2014
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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