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A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals
ArticleAbstract: Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO3 crystPalabras claves:electronic structureAutores:A. Stashans, P. Medina, S SerranoFuentes:rraaeQuantum chemical modelling of Al-doped PZT crystals
ArticleAbstract: Complete analysis of the electronic and structural changes of the lead zirconate titanate (PZT) crysPalabras claves:Al-doping, Electric conductivity, electronic structure, Hole polarons, Lattice distortion, PZT crystalsAutores:A. Stashans, L. Celi, Luis A. Celi, S Serrano, Serrano S., Stashans A.Fuentes:rraaescopus