Role of Multiple Charge States of Ce in the Scintillation of ABO3 Perovskites

Pilania, Ghanshyam; Yadav, Satyesh K.; Nikl, Martin; Uberuaga, Blas P.; Stanek, Christopher Richard

doi:10.1103/PhysRevApplied.10.024026

Title: Role of Multiple Charge States of $Ce$ in the Scintillation of $AB O_{3}$ Perovskites

Journal Article · Mon Aug 20 00:00:00 EDT 2018 · Physical Review Applied

DOI:https://doi.org/10.1103/PhysRevApplied.10.024026· OSTI ID:1473816

^[1]; Yadav, Satyesh K. ^[2]; Nikl, Martin ^[3];

^[1];

^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Indian Inst. of Technology (IIT), Madras (India). Metallurgical and Materials Engineering Dept.
Academy of Sciences of the Czech Republic (ASCR), Prague (Czech Republic). Inst. of Physics

Ce-activated A²⁺B⁴⁺O₃ perovskites represent a class of compounds currently under active exploration for their potential as scintillators. Depending on the chemistry and synthesis conditions, perovskites can crystallize in multiple crystal structures, and a Ce substitutional dopant in an ABO₃ perovskite can adopt different charge states (i.e., Ce³⁺ or Ce⁴⁺) as well as different substitutional sites (namely, the 12-fold-coordinated A site or the octahedrally coordinated B site). We use first-principles density-functional-theory- and hybrid-functional-based computations to study relative trends in the structure, energetics, and electronic structure of bulk ABO₃ perovskites, where A = Ca, Sr, or Ba and B = Hf or Zr. Subsequently, we consider the relative energetics of preferential solution sites for Ce as a function of charge states, chemical potential, and defect configurations. Our results reveal that while Ce³⁺ or Ce⁴⁺ defects can be thermodynamically stable, depending on the choice of the substitutional site and synthesis conditions (i.e., prevailing chemical potential), only Ce³⁺ dopant at the A site leads to an electronic structure that can exhibit scintillation. Our comparative analysis shows that while the positions of the 5d¹ and 4$$\mathcal{f}$$ levels of Ce³⁺ as a dopant at the A site are favorably placed in the band structure, these levels are consistently higher for the Ce⁴⁺ charge state and are unlikely to manifest any luminescence. The findings of this study are also discussed in relation to previously reported results and display excellent agreement with past experimental observations. In general, it is demonstrated that control of the Ce charge state and local chemical environment can be used—in addition to band-gap and band-edge engineering—to manipulate the relative position of scintillating states with respect to the valence-band maximum and conduction-band minimum. While this study specifically focuses on perovskites, the results (in particular, the relative alignment of the positions of the 5d¹ and 4$$\mathcal{f}$$ levels of Ce dopant as a function of the activator’s charge state) are expected to be general and thus transferable to other chemistries.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1473816

Alternate ID(s):: OSTI ID: 1465250

Report Number(s):: LA-UR-18-21082; PRAHB2

Journal Information:: Physical Review Applied, Vol. 10, Issue 2; ISSN 2331-7019

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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References (95)

Scintillator materials Blasse, G. Chemistry of Materials, Vol. 6, Issue 9 https://doi.org/10.1021/cm00045a002	journal	September 1994
Recent R&D Trends in Inorganic Single-Crystal Scintillator Materials for Radiation Detection Nikl, Martin; Yoshikawa, Akira Advanced Optical Materials, Vol. 3, Issue 4 https://doi.org/10.1002/adom.201400571	journal	February 2015
Energy Loss in Inorganic Scintillators Rodnyi, P. A.; Dorenbos, P.; van Eijk, C. W. E. physica status solidi (b), Vol. 187, Issue 1 https://doi.org/10.1002/pssb.2221870102	journal	January 1995
Scintillation detectors for x-rays Nikl, Martin Measurement Science and Technology, Vol. 17, Issue 4 https://doi.org/10.1088/0957-0233/17/4/R01	journal	February 2006
The Detection of Gamma-Rays with Thallium-Activated Sodium Iodide Crystals Hofstadter, Robert Physical Review, Vol. 75, Issue 5, p. 796-810 https://doi.org/10.1103/PhysRev.75.796	journal	March 1949
Scintillations in Thallium-Activated Ca $I_{2}$ and CsI Van Sciver, W.; Hofstadter, R. Physical Review, Vol. 84, Issue 5 https://doi.org/10.1103/PhysRev.84.1062.2	journal	December 1951
Development and characterization of highly efficient new cerium doped rare earth halide scintillator materials Krämer, K. W.; Dorenbos, P.; Güdel, H. U. J. Mater. Chem., Vol. 16, Issue 27 https://doi.org/10.1039/B602762H	journal	January 2006
Development of LuAG-based scintillator crystals – A review Nikl, M.; Yoshikawa, A.; Kamada, K. Progress in Crystal Growth and Characterization of Materials, Vol. 59, Issue 2 https://doi.org/10.1016/j.pcrysgrow.2013.02.001	journal	June 2013
Luminescence Characteristics of the Ce ³⁺ -Doped Pyrosilicates: The Case of La-Admixed Gd ₂ Si ₂ O ₇ Single Crystals Jary, Vitezslav; Nikl, Martin; Kurosawa, Shunsuke The Journal of Physical Chemistry C, Vol. 118, Issue 46 https://doi.org/10.1021/jp5080384	journal	November 2014
X-ray Scintillation in Lead Halide Perovskite Crystals Birowosuto, M. D.; Cortecchia, D.; Drozdowski, W. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep37254	journal	November 2016
Study of rare-earth-doped scintillators Yanagida, Takayuki Optical Materials, Vol. 35, Issue 11 https://doi.org/10.1016/j.optmat.2012.11.002	journal	September 2013
Intrinsic defects, nonstoichiometry, and aliovalent doping of A2+B4+O3 perovskite scintillators: Defects, nonstoichiometry, and doping of perovskite scintillators Casillas-Trujillo, L.; Andersson, D. A.; Dorado, B. physica status solidi (b), Vol. 251, Issue 11 https://doi.org/10.1002/pssb.201451064	journal	July 2014
Scintillation Properties of SrHfO$_{3}$:Ce$^{3+}$ and BaHfO$_{3}$:Ce $^{3+}$ Ceramics van Loef, Edgar V.; Higgins, William M.; Glodo, Jarek IEEE Transactions on Nuclear Science, Vol. 54, Issue 3 https://doi.org/10.1109/TNS.2007.896343	journal	June 2007
On the response of GdAlO3:Ce powder scintillators Michail, C.; Kalyvas, N.; Valais, I. Journal of Luminescence, Vol. 144 https://doi.org/10.1016/j.jlumin.2013.06.041	journal	December 2013
Scintillation properties of LuAP and LuYAP crystals activated with Cerium and Molybdenum Drozdowski, Winicjusz; Wojtowicz, Andrzej J.; Łukasiewicz, Tadeusz Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 562, Issue 1 https://doi.org/10.1016/j.nima.2006.01.127	journal	June 2006
Electron traps and scintillation mechanism in YAlO3:Ce and LuAlO3:Ce scintillators Wojtowicz, A. J.; Glodo, J.; Drozdowski, W. Journal of Luminescence, Vol. 79, Issue 4 https://doi.org/10.1016/S0022-2313(98)00039-8	journal	November 1998
Stability of Ce(III) Activator and Codopant Effect in MHfO3 (M=Ba, Sr) Scintillators by XANES: Communications of the American Ceramic Society Loureiro, Sergio M.; Gao, Yan; Venkataramani, Venkat Journal of the American Ceramic Society, Vol. 88, Issue 1 https://doi.org/10.1111/j.1551-2916.2004.00004.x	journal	December 2004
Preparation and luminescent properties of nanocrystals of Ce3+-activated SrHfO3 Ji, Y. M.; Jiang, D. Y.; Qin, L. S. Journal of Crystal Growth, Vol. 280, Issue 1-2 https://doi.org/10.1016/j.jcrysgro.2005.02.048	journal	June 2005
SrHfO3-based phosphors and scintillators Nikl, M.; Bohacek, P.; Trunda, B. Optical Materials, Vol. 34, Issue 2 https://doi.org/10.1016/j.optmat.2011.04.040	journal	December 2011
BaHfO3:Ce sintered ceramic scintillators Grezer, Aleksandra; Zych, Eugeniusz; Kępiński, Leszek Radiation Measurements, Vol. 45, Issue 3-6 https://doi.org/10.1016/j.radmeas.2009.09.014	journal	March 2010
Lattice relaxation study of the $4 f − 5 d$ excitation of ${Ce}^{3 +}$ -doped $La {Cl}_{3}$ , $La {Br}_{3}$ , and $Na La F_{4}$ : Stokes shift by pseudo Jahn-Teller effect Andriessen, J.; van der Kolk, E.; Dorenbos, P. Physical Review B, Vol. 76, Issue 7 https://doi.org/10.1103/PhysRevB.76.075124	journal	August 2007
Data mining and accelerated electronic structure theory as a tool in the search for new functional materials Ortiz, C.; Eriksson, O.; Klintenberg, M. Computational Materials Science, Vol. 44, Issue 4 https://doi.org/10.1016/j.commatsci.2008.07.016	journal	February 2009
High-Throughput Combinatorial Database of Electronic Band Structures for Inorganic Scintillator Materials Setyawan, Wahyu; Gaume, Romain M.; Lam, Stephanie ACS Combinatorial Science, Vol. 13, Issue 4 https://doi.org/10.1021/co200012w	journal	June 2011
Band-gap engineering for removing shallow traps in rare-earth Lu $_{3}$ Al $_{5}$ O $_{12}$ garnet scintillators using Ga $^{3 +}$ doping Fasoli, M.; Vedda, A.; Nikl, M. Physical Review B, Vol. 84, Issue 8 https://doi.org/10.1103/PhysRevB.84.081102	journal	August 2011
Role of ${Ce}^{4 +}$ in the Scintillation Mechanism of Codoped ${Gd}_{3} {Ga}_{3} {Al}_{2} O_{12} ∶ Ce$ Wu, Yuntao; Meng, Fang; Li, Qi Physical Review Applied, Vol. 2, Issue 4 https://doi.org/10.1103/PhysRevApplied.2.044009	journal	October 2014
First-principles study of luminescence in Ce-doped inorganic scintillators Canning, A.; Chaudhry, A.; Boutchko, R. Physical Review B, Vol. 83, Issue 12 https://doi.org/10.1103/PhysRevB.83.125115	journal	March 2011
Energy transport and scintillation of cerium-doped elpasolite Cs $_{2}$ LiYCl $_{6}$ : Hybrid density functional calculations Biswas, Koushik; Du, Mao-Hua Physical Review B, Vol. 86, Issue 1 https://doi.org/10.1103/PhysRevB.86.014102	journal	July 2012
First-principles study of luminescence in Eu $^{2 +}$ -doped inorganic scintillators Chaudhry, A.; Boutchko, R.; Chourou, S. Physical Review B, Vol. 89, Issue 15 https://doi.org/10.1103/PhysRevB.89.155105	journal	April 2014
First-principles study of rare-earth oxides Petit, L.; Svane, A.; Szotek, Z. Physical Review B, Vol. 72, Issue 20 https://doi.org/10.1103/PhysRevB.72.205118	journal	November 2005
A theoretical investigation of 4f→5d transition of trivalent rare earth ions in fluorides and complex oxides Stephan, M.; Zachau, M.; Gröting, M. Journal of Luminescence, Vol. 114, Issue 3-4 https://doi.org/10.1016/j.jlumin.2005.01.008	journal	September 2005
Defect Engineering by Codoping in ${KCaI}_{3} : {Eu}^{2 +}$ Single-Crystalline Scintillators Wu, Yuntao; Li, Qi; Jones, Steven Physical Review Applied, Vol. 8, Issue 3 https://doi.org/10.1103/PhysRevApplied.8.034011	journal	September 2017
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J. Physical Review B, Vol. 52, Issue 8 https://doi.org/10.1103/PhysRevB.52.R5467	journal	August 1995
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y. Physical Review B, Vol. 57, Issue 3, p. 1505-1509 https://doi.org/10.1103/PhysRevB.57.1505	journal	January 1998
Experimental and First-Principles Analysis of 4 f –5 d Absorption Spectrum for Ce ³⁺ in LiYF ₄ Considering Lattice Relaxation Watanabe, Shinta; Ogasawara, Kazuyoshi Journal of the Physical Society of Japan, Vol. 77, Issue 8 https://doi.org/10.1143/JPSJ.77.084702	journal	August 2008
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Rationale for mixing exact exchange with density functional approximations Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985 https://doi.org/10.1063/1.472933	journal	December 1996
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Influence of the exchange screening parameter on the performance of screened hybrid functionals Krukau, Aliaksandr V.; Vydrov, Oleg A.; Izmaylov, Artur F. The Journal of Chemical Physics, Vol. 125, Issue 22 https://doi.org/10.1063/1.2404663	journal	December 2006
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
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Periodic boundary conditions in ab initio calculations Makov, G.; Payne, M. C. Physical Review B, Vol. 51, Issue 7 https://doi.org/10.1103/PhysRevB.51.4014	journal	February 1995
Screened hybrid density functionals applied to solids Paier, J.; Marsman, M.; Hummer, K. The Journal of Chemical Physics, Vol. 124, Issue 15 https://doi.org/10.1063/1.2187006	journal	April 2006
Dielectric properties of carbon-, silicon-, and germanium-based polymers: A first-principles study Wang, C. C.; Pilania, G.; Ramprasad, R. Physical Review B, Vol. 87, Issue 3 https://doi.org/10.1103/PhysRevB.87.035103	journal	January 2013
Machine Learning Strategy for Accelerated Design of Polymer Dielectrics Mannodi-Kanakkithodi, Arun; Pilania, Ghanshyam; Huan, Tran Doan Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep20952	journal	February 2016
Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term Komsa, Hannu-Pekka; Broqvist, Peter; Pasquarello, Alfredo Physical Review B, Vol. 81, Issue 20 https://doi.org/10.1103/PhysRevB.81.205118	journal	May 2010
Defect levels of dangling bonds in silicon and germanium through hybrid functionals Broqvist, Peter; Alkauskas, Audrius; Pasquarello, Alfredo Physical Review B, Vol. 78, Issue 7 https://doi.org/10.1103/PhysRevB.78.075203	journal	August 2008
Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density-Functional Calculations Alkauskas, Audrius; Broqvist, Peter; Devynck, Fabien Physical Review Letters, Vol. 101, Issue 10 https://doi.org/10.1103/PhysRevLett.101.106802	journal	September 2008
Crystal structure of double oxides of the perovskite type Megaw, Helen D. Proceedings of the Physical Society, Vol. 58, Issue 2 https://doi.org/10.1088/0959-5309/58/2/301	journal	March 1946
The classification of tilted octahedra in perovskites Glazer, A. M. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11 https://doi.org/10.1107/S0567740872007976	journal	November 1972
Die Gesetze der Krystallochemie Goldschmidt, V. M. Die Naturwissenschaften, Vol. 14, Issue 21 https://doi.org/10.1007/BF01507527	journal	May 1926
Crystal Structure and Microwave Dielectric Properties of Alkaline-Earth Hafnates, AHfO ₃ (A=Ba, Sr, Ca) Feteira, Antonio; Sinclair, Derek C.; Rajab, Khalid Z. Journal of the American Ceramic Society, Vol. 91, Issue 3 https://doi.org/10.1111/j.1551-2916.2007.02134.x	journal	March 2008
Dielectric and Structural Characteristics of Ba- and Sr-based Complex Perovskites as a Function of Tolerance Factor Reaney, Ian M.; Colla, Enrico L.; Setter, Nava Japanese Journal of Applied Physics, Vol. 33, Issue Part 1, No. 7A https://doi.org/10.1143/JJAP.33.3984	journal	July 1994
Powder neutron diffraction study of the perovskites CaTiO3 and CaZrO3 Koopmans, H. J. A.; van de Velde, G. M. H.; Gellings, P. J. Acta Crystallographica Section C Crystal Structure Communications, Vol. 39, Issue 10 https://doi.org/10.1107/S0108270183008392	journal	October 1983
Thermal expansion of SrZrO3 and BaZrO3 perovskites Zhao, Yusheng; Weidner, DonaldJ. Physics and Chemistry of Minerals, Vol. 18, Issue 5 https://doi.org/10.1007/BF00200187	journal	December 1991
Raman Spectroscopy of Perovskite-Type BaCexZr1−xO3(0≤x≤1) Charrier-Cougoulic, I.; Pagnier, T.; Lucazeau, G. Journal of Solid State Chemistry, Vol. 142, Issue 1 https://doi.org/10.1006/jssc.1998.8038	journal	January 1999
The electronic structure of lanthanide doped compounds with 3d, 4d, 5d, or 6d conduction band states Dorenbos, Pieter Journal of Luminescence, Vol. 151 https://doi.org/10.1016/j.jlumin.2014.02.019	journal	July 2014
Band offsets of wide-band-gap oxides and implications for future electronic devices Robertson, John Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 18, Issue 3 https://doi.org/10.1116/1.591472	journal	January 2000
Spectroscopic investigation on the electronic structure of a 5d band insulator in proximity to ferroelectric instability: Comparison with and Lee, D. J.; Seo, Y. K.; Lee, Y. S. Solid State Communications, Vol. 150, Issue 5-6 https://doi.org/10.1016/j.ssc.2009.09.048	journal	February 2010
Theoretical investigation of spontaneous polarization, electronic and optical properties of cubic perovskite BaHfO3 Azahaf, C.; Zaari, H.; Abbassi, A. Optical and Quantum Electronics, Vol. 47, Issue 8 https://doi.org/10.1007/s11082-015-0178-2	journal	May 2015
Stability of the layered Sr ₃ Ti ₂ O ₇ structure in La _1.2 (Sr _{1- x} Ca _x ) _1.8 Mn ₂ O ₇ Ganguly, R.; Siruguri, V.; Gopalakrishnan, I. K. Journal of Physics: Condensed Matter, Vol. 12, Issue 8 https://doi.org/10.1088/0953-8984/12/8/311	journal	February 2000
Effect of pressure on the crystal structure and the lattice parameters of BaO Liu, Lin-gun; Bassett, William A. Journal of Geophysical Research, Vol. 77, Issue 26 https://doi.org/10.1029/JB077i026p04934	journal	September 1972
Structures of ZrO ₂ polymorphs at room temperature by high-resolution neutron powder diffraction Howard, C. J.; Hill, R. J.; Reichert, B. E. Acta Crystallographica Section B Structural Science, Vol. 44, Issue 2 https://doi.org/10.1107/S0108768187010279	journal	April 1988
Monoclinic Crystal Structures of ZrO2 and HfO2 Refined from X-ray Powder Diffraction Data Hann, Raiford E.; Suitch, Paul R.; Pentecost, Joseph L. Journal of the American Ceramic Society, Vol. 68, Issue 10 https://doi.org/10.1111/j.1151-2916.1985.tb11534.x	journal	October 1985
Thermodynamics of lanthanide and actinide perovskite-type oxides IV. Molar enthalpies of formation of MM′O3 (M = Ba or Sr, M′ = Ce, Tb, or Am) compounds Goudiakas, J.; Haire, R. G.; Fuger, J. The Journal of Chemical Thermodynamics, Vol. 22, Issue 6 https://doi.org/10.1016/0021-9614(90)90150-O	journal	June 1990
Thermochemical regularities among lanthanide and actinide oxides Morss, Lester R. Journal of the Less Common Metals, Vol. 93, Issue 2 https://doi.org/10.1016/0022-5088(83)90176-5	journal	September 1983
Thermodynamics of doping and vacancy formation in ${BaZrO}_{3}$ perovskite oxide from density functional calculations Sundell, Per G.; Björketun, Mårten E.; Wahnström, Göran Physical Review B, Vol. 73, Issue 10 https://doi.org/10.1103/PhysRevB.73.104112	journal	March 2006
What can a “quantum black-box” do for the inorganic thermochemist? Martinez, Jean-Raphael; Mohn, Chris E.; Stølen, Svein Phys. Chem. Chem. Phys., Vol. 8, Issue 17 https://doi.org/10.1039/B600485G	journal	January 2006
Density-Functional Theory of the Energy Gap Sham, L. J.; Schlüter, M. Physical Review Letters, Vol. 51, Issue 20 https://doi.org/10.1103/PhysRevLett.51.1888	journal	November 1983
Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction Mori-Sánchez, Paula; Cohen, Aron J.; Yang, Weitao Physical Review Letters, Vol. 100, Issue 14 https://doi.org/10.1103/PhysRevLett.100.146401	journal	April 2008
Electronic Structure Martin, Richard M. https://doi.org/10.1017/CBO9780511805769	book	January 2004
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies Hybertsen, Mark S.; Louie, Steven G. Physical Review B, Vol. 34, Issue 8, p. 5390-5413 https://doi.org/10.1103/PhysRevB.34.5390	journal	October 1986
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential Tran, Fabien; Blaha, Peter Physical Review Letters, Vol. 102, Issue 22 https://doi.org/10.1103/PhysRevLett.102.226401	journal	June 2009
Self-consistent $G W$ calculations for semiconductors and insulators Shishkin, M.; Kresse, G. Physical Review B, Vol. 75, Issue 23 https://doi.org/10.1103/PhysRevB.75.235102	journal	June 2007
Band offsets and optical bowings of chalcopyrites and Zn‐based II‐VI alloys Wei, Su‐Huai; Zunger, Alex Journal of Applied Physics, Vol. 78, Issue 6 https://doi.org/10.1063/1.359901	journal	September 1995
Band bowing and band alignment in InGaN alloys Moses, Poul Georg; Van de Walle, Chris G. Applied Physics Letters, Vol. 96, Issue 2 https://doi.org/10.1063/1.3291055	journal	January 2010
Theoretical calculations of heterojunction discontinuities in the Si/Ge system Van de Walle, Chris G.; Martin, Richard M. Physical Review B, Vol. 34, Issue 8 https://doi.org/10.1103/PhysRevB.34.5621	journal	October 1986
Heterojunction band offset engineering Franciosi, A. Surface Science Reports, Vol. 25, Issue 1-4 https://doi.org/10.1016/0167-5729(95)00008-9	journal	January 1996
Density functional study of CO on Rh(111) Köhler, Lukas; Kresse, Georg Physical Review B, Vol. 70, Issue 16 https://doi.org/10.1103/PhysRevB.70.165405	journal	October 2004
Effect of microstructure on the radioluminescence and transparency of Ce-doped strontium hafnate ceramics van Loef, Edgar V.; Wang, Yimin; Miller, Stuart R. Optical Materials, Vol. 33, Issue 1 https://doi.org/10.1016/j.optmat.2010.08.013	journal	November 2010
Synthesis and optical characterization of SrHfO3:Ce and SrZrO3:Ce nanoparticles Rétot, H.; Bessière, A.; Kahn-Harari, A. Optical Materials, Vol. 30, Issue 7 https://doi.org/10.1016/j.optmat.2007.05.032	journal	March 2008
Reactions in the System ZrO ₂ -SrO Noguchi, Tetsuo; ŌKubo, Tsutomu; Yonemochi, Osamu Journal of the American Ceramic Society, Vol. 52, Issue 4 https://doi.org/10.1111/j.1151-2916.1969.tb13360.x	journal	April 1969
Pressure-induced luminescence quenching of terbium-doped oxide sulfides Gleason, John K.; Offen, Henry W.; Turley, W. Dale Inorganic Chemistry, Vol. 32, Issue 5 https://doi.org/10.1021/ic00057a025	journal	March 1993
The charge-transfer absorption band of Eu3+ in oxides Hoefdraad, H. E. Journal of Solid State Chemistry, Vol. 15, Issue 2 https://doi.org/10.1016/0022-4596(75)90242-X	journal	October 1975
Host-to-activator energy transfer in a new blue-emitting phosphor SrHfO3:Tm3+ Yamamoto, Hajime; Mikami, Masayoshi; Shimomura, Yasuo Journal of Luminescence, Vol. 87-89 https://doi.org/10.1016/S0022-2313(99)00546-3	journal	May 2000
Forcing Eu ³⁺ into Different Positions in the BaHfO ₃ Host and Its Spectroscopic Consequences Dobrowolska, Anna; Zych, Eugeniusz Chemistry of Materials, Vol. 22, Issue 16 https://doi.org/10.1021/cm100828v	journal	August 2010
Site-specific luminescence of Eu3+ in gel-combustion-derived strontium zirconate perovskite nanophosphors Gupta, S. K.; Mohapatra, M.; Natarajan, V. Journal of Materials Science, Vol. 47, Issue 8 https://doi.org/10.1007/s10853-011-6195-z	journal	December 2011
Effect of Mg ²⁺ co-doping on the scintillation performance of LuAG:Ce ceramics : Effect of Mg Liu, Shuping; Feng, Xiqi; Zhou, Zhiwei physica status solidi (RRL) - Rapid Research Letters, Vol. 8, Issue 1 https://doi.org/10.1002/pssr.201308199	journal	November 2013
The Stable Center: A New Tool to Optimize Ce-Doped Oxide Scintillators Nikl, Martin; Babin, Vladimir; Pejchal, Jan IEEE Transactions on Nuclear Science, Vol. 63, Issue 2 https://doi.org/10.1109/TNS.2015.2495119	journal	April 2016
Comparison of absorption, luminescence and scintillation characteristics in Lu1.95Y0.05SiO5:Ce,Ca and Y2SiO5:Ce scintillators Chewpraditkul, Weerapong; Wanarak, Chalerm; Szczesniak, Tomasz Optical Materials, Vol. 35, Issue 9 https://doi.org/10.1016/j.optmat.2013.04.024	journal	July 2013
Dopant and proton incorporation in perovskite-type zirconates Davies, R. Solid State Ionics, Vol. 126, Issue 3-4 https://doi.org/10.1016/S0167-2738(99)00244-1	journal	November 1999
High-temperature phase transitions in ${SrHfO}_{3}$ Kennedy, Brendan J.; Howard, Christopher J.; Chakoumakos, Bryan C. Physical Review B, Vol. 60, Issue 5 https://doi.org/10.1103/PhysRevB.60.2972	journal	August 1999
The structural phase transitions in strontium zirconate revisited Howard, Christopher J.; Knight, Kevin S.; Kennedy, Brendan J. Journal of Physics: Condensed Matter, Vol. 12, Issue 45 https://doi.org/10.1088/0953-8984/12/45/101	journal	October 2000
The structure of orthorhombic SrZrO ₃ by neutron powder diffraction Ahtee, A.; Ahtee, M.; Glazer, A. M. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 32, Issue 12 https://doi.org/10.1107/S0567740876010029	journal	December 1976

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{Nd}_{2} {Fe}_{14} B

single crystals [Growth and Characterization of Ce- Substituted Nd₂Fe₁₄¹¹B Single Crystals]

Journal Article · Sat Jul 01 00:00:00 EDT 2017 · Journal of Magnetism and Magnetic Materials · OSTI ID:1473816

Susner, Michael A.; Conner, Benjamin S.; Saparov, Bayrammurad I.; +8 more

Magnetic and magnetocaloric properties of

{({Gd}_{1 - x} Y_{x})}_{2} {NiSi}_{3}

compounds (x = 0.25, 0.5, 0.75)

Journal Article · Sat Apr 06 00:00:00 EDT 2019 · Journal of Magnetism and Magnetic Materials · OSTI ID:1473816

Pakhira, Santanu; Mazumdar, Chandan; Ranganathan, R.

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
defects
density of states
electronic structure
luminescence
perovskite

Title: Role of Multiple Charge States of Ce in the Scintillation of AB O 3 Perovskites

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Title: Role of Multiple Charge States of $Ce$ in the Scintillation of $AB O_{3}$ Perovskites