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

I. A. Sluchinskaya; A. I. Lebedev

doi:10.1016/j.jallcom.2019.153243

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

Materials Science 2019-12-24 v1

Authors: I. A. Sluchinskaya , A. I. Lebedev

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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 {\AA}. 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.

Keywords

srtio3(co) structural defects electronic properties magnetic properties exafs xanes first-principles calculations

Cite

@article{arxiv.1912.10711,
  title  = {Electronic and magnetic properties of structural defects in SrTiO$_3$(Co)},
  author = {I. A. Sluchinskaya and A. I. Lebedev},
  journal= {arXiv preprint arXiv:1912.10711},
  year   = {2019}
}

Comments

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

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