The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Nonstoichiometry and the Electrical Activity of Grain Boundaries inSrTiO3
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.
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Citations
Cites
Full-potential, linearized augmented plane wave programs for crystalline systems
Blaha, P., Schwarz, K., Sorantin, P., & Trickey, S. B. (1990) · Computer Physics Communications · doi:10.1016/0010-4655(90)90187-6 · Cited by 3,592
Cited by
SrTiO3-based thermoelectrics: Progress and challenges
Shi, X.-L., Wu, H., Liu, Q., Zhou, W., Lu, S., Shao, Z., Dargusch, M., & Chen, Z.-G. (2020) · Nano Energy · doi:10.1016/j.nanoen.2020.105195 · Cited by 259
Structure determination through Z-contrast microscopy
Pennycook, S. J. (2002) · Advances in Imaging and Electron Physics · doi:10.1016/s1076-5670(02)80063-5 · Cited by 140
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Metadata
- Authors
- Kim, M., Duscher, G., Browning, N. D., Sohlberg, K., Pantelides, S. T., & Pennycook, S. J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2001-04-30
- Volume
- 86
- Issue
- 18
- Pages
- 4056-4059
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2128304741
- Cited by
- 187
- References
- 1
- FWCI
- 11.32
- Type
- journal article
- Language
- en
- Open access
- closed
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- Kim, M., Duscher, G., Browning, N. D., Sohlberg, K., Pantelides, S. T., & Pennycook, S. J. (2001). Nonstoichiometry and the Electrical Activity of Grain Boundaries inSrTiO3. Physical Review Letters. https://doi.org/10.1103/physrevlett.86.4056
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