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Nonstoichiometry and the electrical activity of grain boundaries in SrTiO3
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http://hdl.handle.net/1860/1804
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| 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
http://hdl.handle.net/1860/1804 |
| Appears in Collections: | Faculty Research and Publications (Chemistry)
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