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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:googlescopusQuantum-chemical simulation of Al- and Sc-bound hole polarons in BaTiO<inf>3</inf> crystal
ArticleAbstract: Quantum-chemical modelling of impurity-bound hole polarons in BaTiO3 crystal was carried out employiPalabras claves:Autores:Henry P. Pinto, Stashans A.Fuentes:googlescopus