Amphoteric Doping of Praseodymium Pr3+ in SrTiO3 Grain Boundaries

Yang, Hao; Lee, H. S.; Kotula, Paul G.; Sato, Yukio; Ikuhara, Yuichi; Browning, Nigel D.

doi:10.1063/1.4916223

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

Journal Article · Mon Mar 23 00:00:00 EDT 2015 · Applied Physics Letters, 106(12):Article No. 121904

DOI:https://doi.org/10.1063/1.4916223· OSTI ID:1182940

Yang, Hao; Lee, H. S.; Kotula, Paul G.; Sato, Yukio; Ikuhara, Yuichi; Browning, Nigel D.

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.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC05-76RL01830; FG02-03ER46057; AC04-94AL85000; FG02-03ER4605

OSTI ID:: 1182940

Alternate ID(s):: OSTI ID: 1226726; OSTI ID: 1238591

Report Number(s):: PNNL-SA-108176; SAND-2015-8538J; 47296

Journal Information:: Applied Physics Letters, 106(12):Article No. 121904, Journal Name: Applied Physics Letters, 106(12):Article No. 121904

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 6 works

Citation information provided by
Web of Science

References (26)

Photoluminescence Properties of Pr-Doped (Ca,Sr,Ba)TiO ₃ Kyômen, Tôru; Sakamoto, Riichiro; Sakamoto, Norihiko Chemistry of Materials, Vol. 17, Issue 12 https://doi.org/10.1021/cm0403715	journal	June 2005
The influence of interface impurities on fracture energy of UHV diffusion bonded metal-ceramic bicrystals Elssner, G.; Korn, D.; Rühle, M. Scripta Metallurgica et Materialia, Vol. 31, Issue 8 https://doi.org/10.1016/0956-716X(94)90523-1	journal	October 1994
Current-Voltage Characteristics of Σ1 Boundaries with and without Cobalt Ions in Niobium-Doped SrTiO ₃ Bicrystals Yamamoto, Takahisa; Hayashi, Katsuro; Ikuhara, Yuichi Journal of the American Ceramic Society, Vol. 83, Issue 6 https://doi.org/10.1111/j.1151-2916.2000.tb01423.x	journal	June 2000
Local Structure and Energetics of Pr- and La-Doped SrTiO ₃ Grain Boundaries and the Influence on Core–Shell Structure Formation Dawson, James A.; Tanaka, Isao The Journal of Physical Chemistry C, Vol. 118, Issue 44 https://doi.org/10.1021/jp508444k	journal	October 2014
Emission from BaTiO3:Pr3+ controlled by ionic radius of added trivalent ion Okamoto, Shinji; Yamamoto, Hajime Journal of Applied Physics, Vol. 91, Issue 8 https://doi.org/10.1063/1.1458050	journal	April 2002
Atomic structure, electronic structure, and defect energetics in $[001] (310) Σ 5$ grain boundaries of ${SrTiO}_{3}$ and ${BaTiO}_{3}$ Imaeda, M.; Mizoguchi, T.; Sato, Y. Physical Review B, Vol. 78, Issue 24 https://doi.org/10.1103/PhysRevB.78.245320	journal	December 2008
Enhanced red phosphorescence in nanosized CaTiO3:Pr3+ phosphors Zhang, Xianmin; Zhang, Jiahua; Nie, Zhaogang Applied Physics Letters, Vol. 90, Issue 15 https://doi.org/10.1063/1.2722205	journal	April 2007
Preparation and Al3+ enhanced photoluminescence properties of CaTiO3:Pr3+ Tang, Jinfeng; Yu, Xibin; Yang, Liangzhun Materials Letters, Vol. 60, Issue 3 https://doi.org/10.1016/j.matlet.2005.08.047	journal	February 2006
Characteristic enhancement of emission from SrTiO3:Pr3+ by addition of group-III b ions Okamoto, Shinji; Yamamoto, Hajime Applied Physics Letters, Vol. 78, Issue 5 https://doi.org/10.1063/1.1343491	journal	January 2001
Luminescent properties of praseodymium-doped alkaline-earth titanates Okamoto, Shinji; Yamamoto, Hajime Journal of Luminescence, Vol. 102-103 https://doi.org/10.1016/S0022-2313(02)00591-4	journal	May 2003
Segregation of Mn ²⁺ Dopants as Interstitials in SrTiO ₃ Grain Boundaries Yang, Hao; Kotula, Paul G.; Sato, Yukio Materials Research Letters, Vol. 2, Issue 1 https://doi.org/10.1080/21663831.2013.856815	journal	October 2013
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Quantifying stoichiometry-induced variations in structure and energy of a SrTiO ₃ symmetric Σ13 {510}/<100 > grain boundary Yang, H.; Lee, H. S.; Sarahan, M. C. Philosophical Magazine, Vol. 93, Issue 10-12 https://doi.org/10.1080/14786435.2012.746479	journal	April 2013
A New Red-Emitting Phosphor, SrTiO ₃ :Pr ^{3 +} , for Low-Voltage Electron Excitation Itoh, Shigeo; Toki, Hitoshi; Tamura, Kiyoshi Japanese Journal of Applied Physics, Vol. 38, Issue Part 1, No. 11 https://doi.org/10.1143/JJAP.38.6387	journal	November 1999
Photoluminescence of Praseodymium-Doped Sr _{n +1} Ti _n O _{3 n +1} ( n =1, 2, ∞) Inaguma, Yoshiyuki; Nagasawa, Daisuke; Katsumata, Tetsuhiro Japanese Journal of Applied Physics, Vol. 44, Issue 1B https://doi.org/10.1143/JJAP.44.761	journal	January 2005
The chemistry of the light rare‐earth elements as determined by electron energy loss spectroscopy Fortner, J. A.; Buck, E. C. Applied Physics Letters, Vol. 68, Issue 26 https://doi.org/10.1063/1.116627	journal	June 1996
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Perdew, John P.; Chevary, J. A.; Vosko, S. H. Physical Review B, Vol. 46, Issue 11 https://doi.org/10.1103/PhysRevB.46.6671	journal	September 1992
New electron excited light emitting materials∗ Vecht, A. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 12, Issue 2 https://doi.org/10.1116/1.587346	journal	March 1994
Defect energetics in SrTiO $_{3}$ symmetric tilt grain boundaries Lee, H. -S.; Mizoguchi, T.; Mistui, J. Physical Review B, Vol. 83, Issue 10 https://doi.org/10.1103/PhysRevB.83.104110	journal	March 2011
First-principles calculation of defect energetics in cubic-BaTiO3 and a comparison with SrTiO3 Lee, Hak-Sung; Mizoguchi, Teruyasu; Yamamoto, Takahisa Acta Materialia, Vol. 55, Issue 19 https://doi.org/10.1016/j.actamat.2007.07.054	journal	November 2007
The application of a new potential model to the rare-earth doping of SrTiO3 and CaTiO3 Dawson, J. A.; Li, X.; Freeman, C. L. Journal of Materials Chemistry C, Vol. 1, Issue 8 https://doi.org/10.1039/c2tc00475e	journal	January 2013
Automated Analysis of SEM X-Ray Spectral Images: A Powerful New Microanalysis Tool Kotula, Paul G.; Keenan, Michael R.; Michael, Joseph R. Microscopy and Microanalysis, Vol. 9, Issue 1 https://doi.org/10.1017/S1431927603030058	journal	January 2003
Improvement of the optical performances of Pr3+ in CaTiO3 Diallo, P. T.; Jeanlouis, K.; Boutinaud, P. Journal of Alloys and Compounds, Vol. 323-324 https://doi.org/10.1016/S0925-8388(01)01115-X	journal	July 2001
Sr vacancy segregation by heat treatment at SrTiO3 grain boundary Mizoguchi, Teruyasu; Sato, Yukio; Buban, James P. Applied Physics Letters, Vol. 87, Issue 24 https://doi.org/10.1063/1.2146051	journal	December 2005
Red Luminescence in Pr3+-Doped Calcium Titanates Diallo, P. T.; Boutinaud, P.; Mahiou, R. physica status solidi (a), Vol. 160, Issue 1 https://doi.org/10.1002/1521-396X(199703)160:1<255::AID-PSSA255>3.0.CO;2-Y	journal	March 1997
Onset of spontaneous electrostrictive strain below 520 K in Pr-doped ${SrTiO}_{3}$ Ranjan, Rajeev; Garg, Rohini; Hackl, Rudi Physical Review B, Vol. 78, Issue 9 https://doi.org/10.1103/PhysRevB.78.092102	journal	September 2008

Cited By (2)

Influence of Chemistry and Misfit Dislocation Structure on Dopant Segregation at Complex Oxide Heterointerfaces Dholabhai, Pratik P.; Martinez, Enrique; Uberuaga, Blas P. Advanced Theory and Simulations, Vol. 2, Issue 1 https://doi.org/10.1002/adts.201800095	journal	September 2018
A sub-sampled approach to extremely low-dose STEM Stevens, A.; Luzi, L.; Yang, H. Applied Physics Letters, Vol. 112, Issue 4 https://doi.org/10.1063/1.5016192	journal	January 2018

Similar Records

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

Journal Article · Mon Mar 23 00:00:00 EDT 2015 · Applied Physics Letters · OSTI ID:1182940

Lee, H. S.; Kotula, P. G.; Sato, Y.; +2 more

Segregation of Mn2+ Dopants as Interstitials in SrTiO3 Grain Boundaries

Journal Article · Thu Oct 03 00:00:00 EDT 2013 · Materials Research Letters, 2(1):16-22 · OSTI ID:1182940

Yang, Hao; Kotula, Paul G.; Sato, Yukio; +3 more

Space-charge distribution across internal interfaces in electroceramics using electron holography. 2: Doped grain boundaries

Journal Article · Thu May 01 00:00:00 EDT 1997 · Journal of the American Ceramic Society · OSTI ID:1182940

Ravikumar, V; Rodrigues, R P; Dravid, V P

Related Subjects

Environmental Molecular Sciences Laboratory
36 MATERIALS SCIENCE

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

Citation Formats

References (26)

Cited By (2)

Similar Records

Related Subjects