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Density-functional study of impurity-related DX centers in CdF<inf>2</inf>
ArticleAbstract: We have studied computationally the CdF2 crystal doped with Al, Ga, In, Sc and Y impurities, using tPalabras claves:Autores:Henry P. Pinto, Nieminen R.M.Fuentes:googlescopusAb initio study of γ-Al<inf>2</inf>O<inf>3</inf> surfaces
ArticleAbstract: Starting from the theoretical pbkp_rediction of the γ-Al 2O3 structure using density-functional theoPalabras claves:Autores:Elliott S.D., Henry P. Pinto, Nieminen R.M.Fuentes:googlescopusQuantum chemical study of effects produced by Nb- and La-doping in BaTiO<inf>3</inf>
Conference ObjectAbstract: The effects produced in BaTiO3 due to Nb and La doping have been studied. The investigation has beenPalabras claves:BaTiO 3, electron transfer, La electronic structure, Lattice distortion, NbAutores:Edgar J. Patiño, Nieminen R.M., Stashans A.Fuentes:scopus