Open AccessAb initio calculations of the B1-B2 phase transition in MgO
Author(s) -
J. Bouchet,
François Bottin,
V. Recoules,
F. Remus,
G. Morard,
R. Bolis,
A. BenuzziMounaix
Publication year - 2019
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.99.094113
Subject(s) - ab initio , anharmonicity , thermodynamics , phase transition , phase boundary , phase (matter) , ab initio quantum chemistry methods , materials science , physics , chemistry , condensed matter physics , quantum mechanics , molecule
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