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

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. This amphoteric doping behavior in the boundary plane is further confirmed by first principles theoretical calculations.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1182940

Alternate ID(s):: OSTI ID: 1226726
OSTI ID: 22398769
OSTI ID: 1238591

Report Number(s):: PNNL-SA-108176; 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

References (26)

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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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:22398769

Site Determination of Doped Ga Ions in SrTiO3:Pr3+ Phosphor for Field Emission Displays by XAFS

Journal Article · Thu Feb 01 23:00:00 EST 2007 · AIP Conference Proceedings · OSTI ID:21054658

Related Subjects

Environmental Molecular Sciences Laboratory

Amphoteric Doping of Praseodymium Pr3+ in SrTiO3 Grain Boundaries

Citation Formats

References (26)

Cited By (2)

Similar Records

Related Subjects