Journal
PHYSICAL REVIEW B
Volume 86, Issue 15, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.86.155208
Keywords
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Funding
- NSF [DMR 1160756]
- Humboldt Foundation
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1160756] Funding Source: National Science Foundation
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The fundamental OD center in TiO2 has been studied by IR absorption spectroscopy and by theory. Our experiments reveal a single sharp OD line in oxygenated samples that we attribute to a positively charged center. In TiO2 samples reduced by a treatment in a D-2 ambient at 500 degrees C, a neutral OD center with two additional IR lines is produced. Similar results reported recently by Herklotz et al. [F. Herklotz, E. V. Lavrov, and J. Weber, Phys. Rev. B 83, 235202 (2011)] led them to suggest that the neutral OD center is a shallow donor with IR lines arising from its two charge states. Our analysis suggests instead that the properties of the neutral OD center are explained by a small polaron model, which involves several configurations corresponding to the localization of the electron on different nearby Ti sites.
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