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Title: Amphoteric doping of praseodymium Pr 3+ in SrTiO 3 grain boundaries

Charge Compensation in rare-earth Praseodymium (Pr 3+) doped SrTiO 3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr 3+ doping behavior in SrTiO 3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr 3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr 3+ substitutes for A site as expected in the bulk, Pr 3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. As a result, this amphoteric doping behavior in the boundary plane is further confirmed by first principles theoretical calculations.
ORCiD logo [1] ;  [2] ; ORCiD logo [3] ;  [4] ;  [5] ;  [6]
  1. Univ. of California, Davis, CA (United States)
  2. Korean Institute of Materials Science (KIMS), Changwon, Gyeongnam (South Korea)
  3. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  4. Kyushu Univ., Fukuoka (Japan)
  5. Univ. of Tokyo, Tokyo (Japan)
  6. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 0003-6951; APPLAB; 607223
Grant/Contract Number:
AC04-94AL85000; FG02-03ER4605; AC05-76RL01830; FG02-03ER46057
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 106; Journal Issue: 12; Journal ID: ISSN 0003-6951
American Institute of Physics (AIP)
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States