Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals
https://hal-edf.archives-ouvertes.fr/hal-01828320
Contributeur : Christophe Domain
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Soumis le : mardi 3 juillet 2018 - 10:30:29
Dernière modification le : lundi 12 août 2019 - 13:24:02
Frédéric Labat, Philippe Baranek, Christophe Domain, Christian Minot, Carlo Adamo. Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals. Journal of Chemical Physics, American Institute of Physics, 2007, 126 (15), ⟨10.1063/1.2717168⟩. ⟨hal-01828320⟩
