The energy level of the Fe2+/3+-transition in BaTiO3 and SrTiO3 single crystals
文献信息
Issei Suzuki, Leonard Gura, Andreas Klein
An approach to determine the defect energy levels of the Fe impurities in BaTiO3 and SrTiO3 single crystals using electrical conductance measurements is presented. The defect levels are obtained from the dependence of the activation energy of electrical transport on the oxygen vacancy concentration, which is varied by stepwise re-oxidation of a reduced sample. An energy level at 0.7–0.8 eV below the conduction band minimum ECB is identified for BaTiO3, which can be assigned to the Fe2+/3+-transition in good agreement with literature. In contrast, the conductivity of Fe-doped SrTiO3 does not show a defect energy level in the upper half of the band gap, indicating that the Fe2+/3+-transition in SrTiO3 is near the conduction band minimum. The often reported alignment of defect energy levels, which is fulfilled for the Fe3+/4+-transition in BaTiO3 and SrTiO3, does not hold for the Fe2+/3+-transition in these compounds. This limits the applicability of Fe-doped SrTiO3 as a model system for studying resistance degradation in acceptor-doped high-permittivity dielectrics.
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Physical Chemistry Chemical Physics

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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