Small hole polarons in rare-earth titanates
Abstract
We investigate the behavior of hole polarons in rare-earth titanates by combining optical conductivity measurements with first-principles hybrid density functional calculations. Sr-doped GdTiO3 (Gd1−xSrxTiO3) was grown by molecular beam epitaxy. We show that a feature in the optical conductivity that was previously identified with the Mott-Hubbard gap is actually associated with the excitation of a small polaron. The assignment is based on an excellent match between the experimental spectra and first-principles calculations for polaron excitation mechanisms.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jun 08, 2015
- Source ID
- 10.1063/1.4922316
Entities
People
- A. Janotti
- Burak Himmetoglu
- C. G. Van De Walle
- D. G. Ouellette
- L. Bjaalie
- Pouya Moetakef
- S. J. Allen
- S. Stemmer
- T. A. Cain
Organizations
- Army Research Office
- National Science Foundation
- Office of Naval Research
- United States Department of Energy
- University of California
- University of California, Santa Barbara