Document Type
Article
Publication Date
9-2011
Abstract
Electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) are used to identify and characterize the neutral hydrogen donor in TiO2 crystals having the rutile structure. These spectra are best observed near 5 K. The neutral donors are present without photoexcitation in crystals that have been slightly reduced at high temperature in a nitrogen atmosphere. The same defects can be photoinduced at low temperature in oxidized crystals. The neutral hydrogen donor in this lattice consists of a substitutional Ti3+ ion adjacent to a substitutional OH– molecular ion. The axis of the OH– molecule lies in the basal plane with the hydrogen ion extending out from the oxygen in a direction perpendicular to the Ti-O bonds. Spin-Hamiltonian parameters are obtained from the angular dependence of the EPR and ENDOR spectra (principal values are 1.9732, 1.9765, and 1.9405 for the g matrix and –0.401, + 0.616, and –0.338 MHz for the 1H hyperfine matrix). The principal axis associated with the + 0.616 MHz principal value is in the basal plane 22.9° from a [110] direction and the principal axis associated with the –0.338 MHz principal value is along the [001] direction. Our results show that interstitial Ti3+ ions are not the dominant shallow donors in slightly reduced TiO2 (rutile) crystals.
DOI
10.1063/1.3630964
Source Publication
Journal of Applied Physics
Recommended Citation
Brant, A. T., Giles, N. C., & Halliburton, L. E. (2011). Hydrogen donors and Ti 3+ ions in reduced TiO 2 crystals. Journal of Applied Physics, 110(5), 053714. https://doi.org/10.1063/1.3630964
Comments
© 2011 AIP Publishing LLC, published under an exclusive license with American Institute of Physics.
AFIT Scholar, as the repository of the Air Force Institute of Technology, furnishes the published Version of Record for this article in accordance with the sharing policy of the publisher, AIP Publishing. A 12-month embargo was observed.
This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Journal of Applied Physics, 110: 053714 as fully cited below and may be found at https://doi.org/10.1063/1.3630964.
Funding notes: This research was supported at West Virginia University by Grant No. DMR-0804352 from the National Science Foundation.
Plain-text title: Hydrogen Donors and Ti(3+) ions in reduced TiO(2) crystals