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Title: Amphoteric doping of praseodymium Pr{sup 3+} in SrTiO{sub 3} grain boundaries

Charge compensation in rare-earth Praseodymium (Pr{sup 3+}) doped SrTiO{sub 3} plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr{sup 3+} doping behavior in SrTiO{sub 3} grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy. The presence of Pr{sup 3+} induces structural variations and changes the statistical prevalence of the GB structures. In contrast to the assumption that Pr{sup 3+} substitutes on the Sr site in the bulk, Pr{sup 3+} is found to substitute on both Sr and Ti sites inside the GBs, with the highest concentration at the Ti sites. This amphoteric doping behavior in the boundary plane is further confirmed by first principles theoretical calculations.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6]
  1. The University of California at Davis, One Shields Avenue, Davis, California 95616 (United States)
  2. Korean Institute of Materials Science (KIMS), 66 Sangnam-Dong, Changwon, Gyeongnam 641-831 (Korea, Republic of)
  3. Department of Materials Characterization, Sandia National Laboratory Laboratories, Albuquerque, New Mexico 87123 (United States)
  4. Department of Materials Science and Engineering, Kyushu University, Fukuoka 819-0395 (Japan)
  5. Institute of Engineering Innovation, The University of Tokyo, 2-11-16, Bunkyo, Tokyo 113-8656 (Japan)
  6. Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)
Publication Date:
OSTI Identifier:
22398769
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 106; Journal Issue: 12; 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; CONCENTRATION RATIO; DOPED MATERIALS; GRAIN BOUNDARIES; PHOTOLUMINESCENCE; PRASEODYMIUM COMPOUNDS; PRASEODYMIUM IONS; SCANNING ELECTRON MICROSCOPY; STRONTIUM TITANATES; TRANSMISSION ELECTRON MICROSCOPY; VARIATIONS