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Oxygen vacancy clustering and electron localization in oxygen-deficient SrTiO3: LDA+U study
- Title
- Oxygen vacancy clustering and electron localization in oxygen-deficient SrTiO3: LDA+U study
- Authors
- Cuong D.D.; Lee B.; Choi K.M.; Ahn H.-S.; Han S.; Lee J.
- Ewha Authors
- 한승우
- Issue Date
- 2007
- Journal Title
- Physical Review Letters
- ISSN
- 0031-9007

- Citation
- Physical Review Letters vol. 98, no. 11
- Indexed
- SCI; SCIE; SCOPUS

- Document Type
- Article
- Abstract
- We find, using a local density approximation +Hubbard U method, that oxygen vacancies tend to cluster in a linear way in SrTiO3, a prototypical perovskite oxide, accompanied by strong electron localization at the 3d state of the nearby Ti transition metal ion. The vacancy clustering and the associated electron localization lead to a profound impact on materials properties, e.g., the reduction in free-carrier densities, the appearance of characteristic optical spectra, and the decrease in vacancy mobility. The high stability against the vacancy migration also suggests the physical reality of the vacancy cluster. © 2007 The American Physical Society.
- DOI
- 10.1103/PhysRevLett.98.115503
- Appears in Collections:
- 자연과학대학 > 물리학전공 > Journal papers
- Files in This Item:
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