Electronic and magnetic properties of structural defects in SrTiO${}_3$(Co)

Abstract

The synthesis conditions of SrTiO${}_3$(Co) samples in which cobalt predominantly enters the $A$ or $B$ sites of the perovskite $AB$O${}_3$ structure are found. EXAFS studies show that the Co impurity at the $A$ site is off-center and is displaced from the site by 1.0 Å. XANES studies reveal two predominant oxidation states of Co: Co${}^{2+}$ at the $A$ site and Co${}^{3+}$ at the $B$ site. First-principles calculations of a number of possible cobalt-containing structural defects reveal defects whose properties are compatible with the experimentally observed Co oxidation state, its local structure, magnetic, electrical, and optical properties.

12 pages, 5 figures, 4 tables; includes the Supplementary Material as an Appendix

References in corpus (1)

• An experimental and theoretical study of Ni impurity centers in Ba${}_{0.8}$Sr${}_{0.2}$TiO${}_3$