Electronic and magnetic properties of structural defects in SrTiO3(Co)

JOURNAL OF ALLOYS AND COMPOUNDS

卷:820

Article

Sluchinskaya, Irina A.¹  Lebedev, Alexander I.¹ 

[1] Moscow MV Lomonosov State Univ, Dept Phys, Moscow 119991, Russia

关键词: Strontium titanate;    EXAFS;    Cobalt doping;    Structural defects;    First-principles calculations;    Electronic structure;   

DOI  :  10.1016/j.jallcom.2019.153243

来源: Elsevier

【 摘 要 】

The synthesis conditions of SrTiO3(Co) samples in which cobalt predominantly enters the A or B sites of the perovskite ABO(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 angstrom. XANES studies reveal two predominant oxidation states of Co: Co2+ at the A site and Co3+ 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. (C) 2019 Elsevier B.V. All rights reserved.

【 授权许可】

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