Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba)

Fang, C.  M.; Biswas, Koushik

doi:10.1103/PhysRevApplied.4.014012

Title: Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent Halides ${AB}_{2} I_{5} : {Eu}^{2 +}$ ( $A = Li - Cs$ ; $B = Sr$ , Ba)

Abstract

Several rare-earth-doped, heavy-metal halides have recently been identified as potential next-generation luminescent materials with high efficiency at low cost. AB₂I₅:Eu²⁺ (A=Li–Cs; B=Sr, Ba) is one such family of halides. Its members, such as CsBa₂I₅:Eu²⁺ and KSr₂I₅:Eu²⁺, are currently being investigated as high-performance scintillators with improved sensitivity, light yield, and energy resolution less than 3% at 662 keV. Within the AB₂I₅ family, our first-principles-based calculations reveal two remarkably different trends in Eu site occupation. The substitutional Eu ions occupy both eightfold-coordinated B1(VIII) and the sevenfold-coordinated B2(VII) sites in the Sr-containing compounds. However, in the Ba-containing crystals, Eu ions strongly prefer the B2(VII)sites. This random versus preferential distribution of Eu affects their electronic properties. The calculations also suggest that in the Ba-containing compounds one can expect the formation of Eu-rich domains. These results provide atomistic insight into recent experimental observations about the concentration and temperature effects in Eu-doped CsBa₂I₅. We discuss the implications of our results with respect to luminescent properties and applications. We also hypothesize Sr, Ba-mixed quaternary iodides ABa^VIIISr^VIII₅:Eu as scintillators having enhanced homogeneity and electronic properties.

Authors:

Fang, C. M. ^[1]; Biswas, Koushik ^[1]

Arkansas State Univ., Jonesboro, AR (United States)

Publication Date:: 2015-07-22

Sponsoring Org.:: USDOE

OSTI Identifier:: 1201007

Grant/Contract Number:: ECCS-1348341; AC52-06NA25946

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Applied

Additional Journal Information:: Journal Name: Physical Review Applied Journal Volume: 4 Journal Issue: 1; Journal ID: ISSN 2331-7019

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Fang, C.  M., and Biswas, Koushik. Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba).  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevApplied.4.014012.

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                    Fang, C.  M., & Biswas, Koushik. Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba).  United States.  https://doi.org/10.1103/PhysRevApplied.4.014012

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                    Fang, C.  M., and Biswas, Koushik. Wed .  
"Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba)".  United States.  https://doi.org/10.1103/PhysRevApplied.4.014012.

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@article{osti_1201007,

  title        = {Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba)},

  author       = {Fang, C.  M. and Biswas, Koushik},

  abstractNote = {Several rare-earth-doped, heavy-metal halides have recently been identified as potential next-generation luminescent materials with high efficiency at low cost. AB2I5:Eu2+ (A=Li–Cs; B=Sr, Ba) is one such family of halides. Its members, such as CsBa2I5:Eu2+ and KSr2I5:Eu2+, are currently being investigated as high-performance scintillators with improved sensitivity, light yield, and energy resolution less than 3% at 662 keV. Within the AB2I5 family, our first-principles-based calculations reveal two remarkably different trends in Eu site occupation. The substitutional Eu ions occupy both eightfold-coordinated B1(VIII) and the sevenfold-coordinated B2(VII) sites in the Sr-containing compounds. However, in the Ba-containing crystals, Eu ions strongly prefer the B2(VII)sites. This random versus preferential distribution of Eu affects their electronic properties. The calculations also suggest that in the Ba-containing compounds one can expect the formation of Eu-rich domains. These results provide atomistic insight into recent experimental observations about the concentration and temperature effects in Eu-doped CsBa2I5. We discuss the implications of our results with respect to luminescent properties and applications. We also hypothesize Sr, Ba-mixed quaternary iodides ABaVIIISrVIII5:Eu as scintillators having enhanced homogeneity and electronic properties.},

  doi          = {10.1103/PhysRevApplied.4.014012},

  journal      = {Physical Review Applied},

  number       = 1,

  volume       = 4,

  place        = {United States},

  year         = {2015},

  month        = {7}

}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

High-energy-resolution scintillator: Ce³⁺ activated LaBr₃
journal, September 2001

van Loef, E. V. D.; Dorenbos, P.; van Eijk, C. W. E.
Applied Physics Letters, Vol. 79, Issue 10, p. 1573-1575
DOI: 10.1063/1.1385342

Inorganic Luminescent Materials: 100 Years of Research and Application
journal, July 2003

Feldmann, C.; Jüstel, T.; Ronda, C. R.
Advanced Functional Materials, Vol. 13, Issue 7
DOI: 10.1002/adfm.200301005

Formation, stability, and mobility of self-trapped excitations in NaI and NaI $_{1 - x}$ Tl $_{x}$ from first principles
journal, March 2013

Prange, M. P.; Van Ginhoven, R. M.; Govind, N.
Physical Review B, Vol. 87, Issue 11
DOI: 10.1103/PhysRevB.87.115101

DX-like centers in NaI:Tl upon aliovalent codoping
journal, December 2014

Adhikari, Rajendra; Li, Qi; Williams, Richard T.
Journal of Applied Physics, Vol. 116, Issue 22
DOI: 10.1063/1.4903766

Thermal quenching of Eu ²⁺ 5d–4f luminescence in inorganic compounds
journal, December 2005

Dorenbos, P.
Journal of Physics: Condensed Matter, Vol. 17, Issue 50
DOI: 10.1088/0953-8984/17/50/027

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
The Journal of Chemical Physics, Vol. 118, Issue 18
DOI: 10.1063/1.1564060

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

Shannon, R. D.
Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767
DOI: 10.1107/S0567739476001551

Challenges for Density Functional Theory
journal, December 2011

Cohen, Aron J.; Mori-Sánchez, Paula; Yang, Weitao
Chemical Reviews, Vol. 112, Issue 1
DOI: 10.1021/cr200107z

Chemical trends of electronic and optical properties of ns ² ions in halides
journal, January 2014

Du, M. H.
J. Mater. Chem. C, Vol. 2, Issue 24
DOI: 10.1039/c4tc00485j

Special points for Brillouin-zone integrations
journal, June 1976

Monkhorst, Hendrik J.; Pack, James D.
Physical Review B, Vol. 13, Issue 12, p. 5188-5192
DOI: 10.1103/PhysRevB.13.5188

Promising Alkaline Earth Halide Scintillators for Gamma-Ray Spectroscopy
journal, April 2013

Shirwadkar, U.; Hawrami, R.; Glodo, J.
IEEE Transactions on Nuclear Science, Vol. 60, Issue 2
DOI: 10.1109/TNS.2013.2240696

A Study on AB2X5 Compounds (A: K, In, Tl; B: Sr, Sn, Pb; X: Cl, Br, I)
journal, May 1986

Beck, H. P.; Clicqu�, G.; Nau, H.
Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 536, Issue 5
DOI: 10.1002/zaac.19865360505

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

Strontium and barium iodide high light yield scintillators
journal, February 2008

Cherepy, Nerine J.; Hull, Giulia; Drobshoff, Alexander D.
Applied Physics Letters, Vol. 92, Issue 8, Article No. 083508
DOI: 10.1063/1.2885728

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Kresse, G.; Hafner, J.
Physical Review B, Vol. 49, Issue 20, p. 14251-14269
DOI: 10.1103/PhysRevB.49.14251

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
Physical Review B, Vol. 57, Issue 3, p. 1505-1509
DOI: 10.1103/PhysRevB.57.1505

Quasiparticle spectra, absorption spectra, and excitonic properties of NaI and ${SrI}_{2}$ from many-body perturbation theory
journal, February 2014

Erhart, Paul; Schleife, André; Sadigh, Babak
Physical Review B, Vol. 89, Issue 7
DOI: 10.1103/PhysRevB.89.075132

Near optical isotropy in noncubic SrI2: Density functional calculations
journal, May 2008

Singh, D. J.
Applied Physics Letters, Vol. 92, Issue 20
DOI: 10.1063/1.2936079

Growth and characterization of potassium strontium iodide: A new high light yield scintillator with 2.4% energy resolution
journal, April 2015

Stand, L.; Zhuravleva, M.; Lindsey, A.
Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 780
DOI: 10.1016/j.nima.2015.01.052

Density-Functional Theory of the Electronic Structure of Molecules
journal, October 1995

Parr, Robert G.; Yang, Weitao
Annual Review of Physical Chemistry, Vol. 46, Issue 1
DOI: 10.1146/annurev.pc.46.100195.003413

Structure and optical properties of high light output halide scintillators
journal, October 2010

Singh, David J.
Physical Review B, Vol. 82, Issue 15
DOI: 10.1103/PhysRevB.82.155145

Role of ${Ce}^{4 +}$ in the Scintillation Mechanism of Codoped ${Gd}_{3} {Ga}_{3} {Al}_{2} O_{12} ∶ Ce$
journal, October 2014

Wu, Yuntao; Meng, Fang; Li, Qi
Physical Review Applied, Vol. 2, Issue 4
DOI: 10.1103/PhysRevApplied.2.044009

Electronic structure of LaBr $_{3}$ from quasiparticle self-consistent $G W$ calculations
journal, March 2012

Åberg, Daniel; Sadigh, Babak; Erhart, Paul
Physical Review B, Vol. 85, Issue 12
DOI: 10.1103/PhysRevB.85.125134

Structure and scintillation of Eu2+-activated solid solutions in the BaBr2–BaI2 system
journal, October 2011

Gundiah, Gautam; Bizarri, Gregory; Hanrahan, Stephen M.
Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 652, Issue 1
DOI: 10.1016/j.nima.2010.10.058

Scintillation and Optical Properties of ${\rm BaBrI}\!:\!{\rm Eu}^{2+}$ and ${\rm CsBa}_{2}{\rm I}_{5}\!:\!{\rm Eu}^{2+}$
journal, December 2011

Bizarri, Gregory; Bourret-Courchesne, Edith D.; Yan, Zewu
IEEE Transactions on Nuclear Science, Vol. 58, Issue 6
DOI: 10.1109/TNS.2011.2166999

Search for improved-performance scintillator candidates among the electronic structures of mixed halides
conference, September 2014

Li, Qi; Williams, Richard T.; Burger, Arnold
SPIE Optical Engineering + Applications, SPIE Proceedings
DOI: 10.1117/12.2063583

Developments in Luminescence and Display Materials Over the Last 100 Years as Reflected in Electrochemical Society Publications
journal, January 2002

Chen, Reuven; Lockwood, David J.
Journal of The Electrochemical Society, Vol. 149, Issue 9
DOI: 10.1149/1.1502258

Scintillation properties of CsBa2I5 activated with monovalent ions Tl+, Na+ and In+
journal, December 2014

Gascón, M.; Samulon, E. C.; Gundiah, G.
Journal of Luminescence, Vol. 156
DOI: 10.1016/j.jlumin.2014.07.017

HEPHAISTOSITE, TlPb2Cl5, A NEW THALLIUM MINERAL SPECIES FROM LA FOSSA CRATER, VULCANO, AEOLIAN ISLANDS, ITALY
journal, June 2008

Campostrini, I.; Demartin, F.; Gramaccioli, C. M.
The Canadian Mineralogist, Vol. 46, Issue 3
DOI: 10.3749/canmin.46.3.701

High energy resolution scintillators for nuclear nonproliferation applications
conference, September 2014

Zhuravleva, M.; Melcher, C. L.; Stand, L.
SPIE Optical Engineering + Applications, SPIE Proceedings
DOI: 10.1117/12.2064191

Eu²⁺-doped Ba₂CsI₅, a new high-performance scintillator
journal, December 2009

Bourret-Courchesne, E. D.; Bizarri, G.; Borade, R.
Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 612, Issue 1, p. 138-142
DOI: 10.1016/j.nima.2009.10.146

Optical and scintillation properties of CsBa2I5:Eu2+
journal, January 2014

Alekhin, Mikhail S.; Biner, Daniel A.; Krämer, Karl W.
Journal of Luminescence, Vol. 145
DOI: 10.1016/j.jlumin.2013.08.058

Optical and scintillation properties of SrI2:Yb2+
journal, November 2014

Alekhin, Mikhail S.; Biner, Daniel A.; Krämer, Karl W.
Optical Materials, Vol. 37
DOI: 10.1016/j.optmat.2014.06.030

Tern�re Bromide und Iodide zweiwertiger Lanthanide und ihre Erdalkali-Analoga vom Typ AMX3 und AM2X5
journal, May 1996

Schilling, Gaby; Meyer, Gerd
Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 622, Issue 5
DOI: 10.1002/zaac.19966220502

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Title: Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent Halides AB 2 I 5 : Eu 2 + ( A = Li – Cs ; B = Sr , Ba)

Abstract

Citation Formats

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Title: Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent Halides ${AB}_{2} I_{5} : {Eu}^{2 +}$ ( $A = Li - Cs$ ; $B = Sr$ , Ba)

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High-energy-resolution scintillator: Ce³⁺ activated LaBr₃
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Inorganic Luminescent Materials: 100 Years of Research and Application
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Formation, stability, and mobility of self-trapped excitations in NaI and NaI $_{1 - x}$ Tl $_{x}$ from first principles
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Hybrid functionals based on a screened Coulomb potential
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
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journal, June 1976

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From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Quasiparticle spectra, absorption spectra, and excitonic properties of NaI and ${SrI}_{2}$ from many-body perturbation theory
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