Nonstoichiometry and the Electrical Activity of Grain Boundaries in SrTiO{sub 3}
Journal Article
·
· Physical Review Letters
A combination of experiments and first-principles calculations is used to show that grain boundaries in SrTiO{sub 3} are intrinsically nonstoichiometric. Total-energy calculations reveal that the introduction of nonstoichiometry into the grain boundaries is energetically favorable and results in structures that are consistent with atomic-resolution Z -contrast micrographs. Electron energy-loss spectra provide direct evidence of nonstoichiometry. These results and calculations for nonstoichiometric grain boundaries provide an explanation of the microscopic origin of the ''double Schottky barriers'' that dominate the electrical behavior of polycrystalline oxides.
- Sponsoring Organization:
- (US)
- OSTI ID:
- 40205772
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 18 Vol. 86; ISSN 0031-9007
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
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