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Title: Amphoteric Doping of Praseodymium Pr3+ in SrTiO3 Grain Boundaries

Abstract

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.

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1182940
Alternate Identifier(s):
OSTI ID: 1226726; OSTI ID: 1238591
Report Number(s):
PNNL-SA-108176; SAND-2015-8538J
47296
Grant/Contract Number:
AC05-76RL01830; FG02-03ER46057; AC04-94AL85000; FG02-03ER4605
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Applied Physics Letters, 106(12):Article No. 121904
Additional Journal Information:
Journal Name: Applied Physics Letters, 106(12):Article No. 121904
Country of Publication:
United States
Language:
English
Subject:
Environmental Molecular Sciences Laboratory; 36 MATERIALS SCIENCE

Citation Formats

Yang, Hao, Lee, H. S., Kotula, Paul G., Sato, Yukio, Ikuhara, Yuichi, and Browning, Nigel D. Amphoteric Doping of Praseodymium Pr3+ in SrTiO3 Grain Boundaries. United States: N. p., 2015. Web. doi:10.1063/1.4916223.
Yang, Hao, Lee, H. S., Kotula, Paul G., Sato, Yukio, Ikuhara, Yuichi, & Browning, Nigel D. Amphoteric Doping of Praseodymium Pr3+ in SrTiO3 Grain Boundaries. United States. doi:10.1063/1.4916223.
Yang, Hao, Lee, H. S., Kotula, Paul G., Sato, Yukio, Ikuhara, Yuichi, and Browning, Nigel D. Mon . "Amphoteric Doping of Praseodymium Pr3+ in SrTiO3 Grain Boundaries". United States. doi:10.1063/1.4916223. https://www.osti.gov/servlets/purl/1182940.
@article{osti_1182940,
title = {Amphoteric Doping of Praseodymium Pr3+ in SrTiO3 Grain Boundaries},
author = {Yang, Hao and Lee, H. S. and Kotula, Paul G. and Sato, Yukio and Ikuhara, Yuichi and Browning, Nigel D.},
abstractNote = {Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ 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.},
doi = {10.1063/1.4916223},
journal = {Applied Physics Letters, 106(12):Article No. 121904},
number = ,
volume = ,
place = {United States},
year = {Mon Mar 23 00:00:00 EDT 2015},
month = {Mon Mar 23 00:00:00 EDT 2015}
}

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