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Title: Small hole polarons in rare-earth titanates

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 GdTiO{sub 3} (Gd{sub 1−x}Sr{sub x}TiO{sub 3}) 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.
Authors:
; ; ; ; ; ;  [1] ; ;  [2]
  1. Materials Department, University of California Santa Barbara, California 91306-5050 (United States)
  2. Department of Physics, University of California, Santa Barbara, California 91306-5050 (United States)
Publication Date:
OSTI Identifier:
22423750
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 106; Journal Issue: 23; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 77 NANOSCIENCE AND NANOTECHNOLOGY; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; EXCITATION; GADOLINIUM COMPOUNDS; HOLES; MOLECULAR BEAM EPITAXY; POLARONS; RARE EARTHS; STRONTIUM; TITANATES; TITANIUM OXIDES