Discovery of New Compounds and Scintillators of the A4BX6 Family: Crystal Structure, Thermal, Optical, and Scintillation Properties

Jesse A. Johnson; Mariya Zhuravleva; Luis Stand; Bryan C. Chakoumakos; Yuntao Wu; Ian Greely; Daniel Rutstrom; Merry Koschan; Charles L. Melcher

doi:10.1021/acs.cgd.8b00661

Discovery of New Compounds and Scintillators of the A₄BX₆ Family: Crystal Structure, Thermal, Optical, and Scintillation Properties

Jesse A. Johnson, Mariya Zhuravleva, Luis Stand, Bryan C. Chakoumakos, Yuntao Wu, Ian Greely, Daniel Rutstrom, Merry Koschan, Charles L. Melcher

Single Crystal Diffraction

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

We report the discovery of four new compounds of Eu²⁺-doped scintillators [Cs₃Rb]SrI₆, [Cs₃K]SrI₆, [Cs₃Rb]CaI₆, and [Cs₃K]CaI₆. A compositional engineering strategy dictated by the structural systematics of the base compounds Cs₄CaI₆ and Cs₄SrI₆ (space group R3c-hexagonal basis) was conducted to confirm an ideal solid solution for this system. Substitution of smaller monovalent cations Rb¹⁺ and K¹⁺ for Cs¹⁺, maintained the crystal structure, producing an ordered substitution. Crystals were initially grown doped with 0.5% Eu to compare scintillation properties, and a Eu²⁺ optimization study determined that 7% Eu was the ideal concentration. A 56 mm³ crystal of composition [Cs_3.5Rb_0.5]SrI₆:Eu 7% gave the best measured scintillation performance with an absolute light yield of 75 000 ph/MeV and energy resolution of 3.3% at 662 keV.

Original language	English
Pages (from-to)	5220-5230
Number of pages	11
Journal	Crystal Growth and Design
Volume	18
Issue number	9
DOIs	https://doi.org/10.1021/acs.cgd.8b00661
State	Published - Sep 5 2018

Funding

This project was funded in part by Oak Ridge Associated Universities (ORAU) via the Ralph E. Powe Junior Faculty Enhancement Award, and the Center for Materials Processing at the University of Tennessee - Knoxville. This work has also been supported by the U.S. Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded Grant Nos. 2014-DN-077-ARI088 and #2012-DN-077-ARI067. This support does not constitute an express or implied endorsement on the part of the Government. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory.

Funders	Funder number
U.S. Department of Homeland Security
Oak Ridge Associated Universities
University of Tennessee
Domestic Nuclear Detection Office	2012-DN-077-ARI067, 2014-DN-077-ARI088

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10.1021/acs.cgd.8b00661

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title = "Discovery of New Compounds and Scintillators of the A4BX6 Family: Crystal Structure, Thermal, Optical, and Scintillation Properties",

abstract = "We report the discovery of four new compounds of Eu2+-doped scintillators [Cs3Rb]SrI6, [Cs3K]SrI6, [Cs3Rb]CaI6, and [Cs3K]CaI6. A compositional engineering strategy dictated by the structural systematics of the base compounds Cs4CaI6 and Cs4SrI6 (space group R3c-hexagonal basis) was conducted to confirm an ideal solid solution for this system. Substitution of smaller monovalent cations Rb1+ and K1+ for Cs1+, maintained the crystal structure, producing an ordered substitution. Crystals were initially grown doped with 0.5% Eu to compare scintillation properties, and a Eu2+ optimization study determined that 7% Eu was the ideal concentration. A 56 mm3 crystal of composition [Cs3.5Rb0.5]SrI6:Eu 7% gave the best measured scintillation performance with an absolute light yield of 75 000 ph/MeV and energy resolution of 3.3% at 662 keV.",

author = "Johnson, {Jesse A.} and Mariya Zhuravleva and Luis Stand and Chakoumakos, {Bryan C.} and Yuntao Wu and Ian Greely and Daniel Rutstrom and Merry Koschan and Melcher, {Charles L.}",

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AU - Stand, Luis

AU - Chakoumakos, Bryan C.

AU - Wu, Yuntao

AU - Greely, Ian

AU - Rutstrom, Daniel

AU - Koschan, Merry

AU - Melcher, Charles L.

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N2 - We report the discovery of four new compounds of Eu2+-doped scintillators [Cs3Rb]SrI6, [Cs3K]SrI6, [Cs3Rb]CaI6, and [Cs3K]CaI6. A compositional engineering strategy dictated by the structural systematics of the base compounds Cs4CaI6 and Cs4SrI6 (space group R3c-hexagonal basis) was conducted to confirm an ideal solid solution for this system. Substitution of smaller monovalent cations Rb1+ and K1+ for Cs1+, maintained the crystal structure, producing an ordered substitution. Crystals were initially grown doped with 0.5% Eu to compare scintillation properties, and a Eu2+ optimization study determined that 7% Eu was the ideal concentration. A 56 mm3 crystal of composition [Cs3.5Rb0.5]SrI6:Eu 7% gave the best measured scintillation performance with an absolute light yield of 75 000 ph/MeV and energy resolution of 3.3% at 662 keV.

AB - We report the discovery of four new compounds of Eu2+-doped scintillators [Cs3Rb]SrI6, [Cs3K]SrI6, [Cs3Rb]CaI6, and [Cs3K]CaI6. A compositional engineering strategy dictated by the structural systematics of the base compounds Cs4CaI6 and Cs4SrI6 (space group R3c-hexagonal basis) was conducted to confirm an ideal solid solution for this system. Substitution of smaller monovalent cations Rb1+ and K1+ for Cs1+, maintained the crystal structure, producing an ordered substitution. Crystals were initially grown doped with 0.5% Eu to compare scintillation properties, and a Eu2+ optimization study determined that 7% Eu was the ideal concentration. A 56 mm3 crystal of composition [Cs3.5Rb0.5]SrI6:Eu 7% gave the best measured scintillation performance with an absolute light yield of 75 000 ph/MeV and energy resolution of 3.3% at 662 keV.

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Discovery of New Compounds and Scintillators of the A₄BX₆ Family: Crystal Structure, Thermal, Optical, and Scintillation Properties

Abstract

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