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Mechanism of the Verwey transition in magnetite: Jahn-Teller distortion and charge ordering patterns
ArticleAbstract: We have performed density functional calculations with on-site Coulomb repulsion corrections of systPalabras claves:Autores:Elliott S.D., Henry P. PintoFuentes:googlescopusTheoretical study of structural and optical properties of F-centers in tetragonal BaTiO<inf>3</inf>
Conference ObjectAbstract: Using the density functional theory (DFT) within the local density approximation (LDA) and a methodPalabras claves:BaTiO 3, DFT, F-center, Ferroelectric, Hartree-Fock, Oxygen-vacancy, Structural and optical propertiesAutores:Elliott S.D., Henry P. Pinto, Stashans A.Fuentes:googlescopus