Open AccessThermodynamics of oxygen defective Magnéli phases in rutile: A first-principles study
Author(s) -
Leandro Liborio,
N. M. Harrison
Publication year - 2008
Publication title -
physical review b
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.77.104104
Subject(s) - rutile , thermodynamics , materials science , oxygen , ab initio , phase (matter) , ab initio quantum chemistry methods , condensed matter physics , physics , chemistry , quantum mechanics , organic chemistry , molecule
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