Spectroscopic study of the electric field induced valence change of Fe-defect centers in SrTiO3

Literature Information

Publication Date 2011-10-14
DOI 10.1039/C1CP21973A
Impact Factor 3.676
Authors

Aleksandr Kalinko, Alexei Kuzmin, Dzintars Berzins, Juris Purans


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Abstract

The electrochemical changes induced by an electric field in Fe-doped SrTiO3 have been investigated by X-ray absorption spectroscopy (XANES and EXAFS), electron paramagnetic resonance (EPR) and Raman spectroscopy. A detailed study of the Fe dopant in the regions around the anode and cathode reveals new insights into the local structure and valence state of Fe in SrTiO3 single crystals. The ab initio full multiple-scattering XANES calculations give an evidence of the oxygen vacancy presence in the first coordination shell of iron. Differences in the length and disorder of the Fe–O bonds as extracted from EXAFS are correlated to the unequivocal identification of the defect type by complementary spectroscopical techniques to identify the valence state of the Fe-dopant and the presence of the Fe − VÖ complexes. Through this combinatorial approach, novel structural information on Fe − VÖ complexes is provided by X-ray absorption spectroscopy, and the relation of Fe–O bond length, doping level and oxidation state in SrTi1−xFexO3 is briefly discussed.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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