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Please use this identifier to cite or link to this item: http://hdl.handle.net/1860/1804

Title: Nonstoichiometry and the electrical activity of grain boundaries in SrTiO3
Authors: Kim, Miyoung
Duscher, Gerd
Browning, Nigel D.
Sohlberg, Karl
Pantelides, Sokrates T.
Pennycook, Stephen J.
Issue Date: Apr-2001
Publisher: American Physical Society
Citation: Physical Review Letters, 86: pp. 4056-4059.
Abstract: A combination of experiments and first-principles calculations is used to show that grain boundaries in SrTiO3 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.
URI: http://dx.doi.org/10.1103/PhysRevLett.86.4056
Appears in Collections:Faculty Research and Publications (Chemistry)

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