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Title: Crystal structure, electronic structure, optical and scintillation properties of self-activated Cs 4YbI 6 [Crystal structure, optical and scintillation properties of self-activated Cs 4YbI 6]

A self-activated Cs 4YbI 6 single crystal was grown by the vertical Bridgman method. Crystal structure refinements verified the phase purity and the trigonal crystal system with a space group of $$\bar{R}$$3 c. By using differential scanning calorimetry, the melting and crystallization points were determined to be 550 and 510 °C, respectively. Luminescence and scintillation properties were systematically studied. Upon ultraviolet light (360 nm) excitation, the Cs 4YbI 6 crystal exhibits bluish-green emission centered at 450 and 480 nm due to spin-allowed and spin-forbidden transitions of Yb 2+ activators. The lifetimes of the corresponding emission bands at room temperature are tens and hundreds of nanoseconds, respectively. X-ray excited radioluminescence spectrum is dominated by the spin-forbidden transition of Yb 2+ at 480 nm. The absolute light yield is 2700 ± 200 photons/MeV with a principal scintillation decay time of 33 ns. In conclusion, the physical explanation for the low light yield observed is proposed from experimental and theoretical insights.
Authors:
 [1] ; ORCiD logo [2] ;  [3] ; ORCiD logo [2] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1]
  1. Univ. of Tennessee, Knoxville, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Beihang Univ., Beijing (China)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Journal of Luminescence
Additional Journal Information:
Journal Volume: 201; Journal Issue: C; Journal ID: ISSN 0022-2313
Publisher:
Elsevier
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Scintillator; Single crystal; Self-activated; Electronic structure
OSTI Identifier:
1440821

Wu, Yuntao, Chakoumakos, Bryan C., Shi, Hongliang, Du, Mao -Hua, Greeley, Ian, Loyd, Matthew, Rutstrom, Daniel J., Stand, Luis, Koschan, Merry, and Melcher, Charles L.. Crystal structure, electronic structure, optical and scintillation properties of self-activated Cs4YbI6 [Crystal structure, optical and scintillation properties of self-activated Cs4YbI6]. United States: N. p., Web. doi:10.1016/j.jlumin.2018.05.037.
Wu, Yuntao, Chakoumakos, Bryan C., Shi, Hongliang, Du, Mao -Hua, Greeley, Ian, Loyd, Matthew, Rutstrom, Daniel J., Stand, Luis, Koschan, Merry, & Melcher, Charles L.. Crystal structure, electronic structure, optical and scintillation properties of self-activated Cs4YbI6 [Crystal structure, optical and scintillation properties of self-activated Cs4YbI6]. United States. doi:10.1016/j.jlumin.2018.05.037.
Wu, Yuntao, Chakoumakos, Bryan C., Shi, Hongliang, Du, Mao -Hua, Greeley, Ian, Loyd, Matthew, Rutstrom, Daniel J., Stand, Luis, Koschan, Merry, and Melcher, Charles L.. 2018. "Crystal structure, electronic structure, optical and scintillation properties of self-activated Cs4YbI6 [Crystal structure, optical and scintillation properties of self-activated Cs4YbI6]". United States. doi:10.1016/j.jlumin.2018.05.037.
@article{osti_1440821,
title = {Crystal structure, electronic structure, optical and scintillation properties of self-activated Cs4YbI6 [Crystal structure, optical and scintillation properties of self-activated Cs4YbI6]},
author = {Wu, Yuntao and Chakoumakos, Bryan C. and Shi, Hongliang and Du, Mao -Hua and Greeley, Ian and Loyd, Matthew and Rutstrom, Daniel J. and Stand, Luis and Koschan, Merry and Melcher, Charles L.},
abstractNote = {A self-activated Cs4YbI6 single crystal was grown by the vertical Bridgman method. Crystal structure refinements verified the phase purity and the trigonal crystal system with a space group of $\bar{R}$3c. By using differential scanning calorimetry, the melting and crystallization points were determined to be 550 and 510 °C, respectively. Luminescence and scintillation properties were systematically studied. Upon ultraviolet light (360 nm) excitation, the Cs4YbI6 crystal exhibits bluish-green emission centered at 450 and 480 nm due to spin-allowed and spin-forbidden transitions of Yb2+ activators. The lifetimes of the corresponding emission bands at room temperature are tens and hundreds of nanoseconds, respectively. X-ray excited radioluminescence spectrum is dominated by the spin-forbidden transition of Yb2+ at 480 nm. The absolute light yield is 2700 ± 200 photons/MeV with a principal scintillation decay time of 33 ns. In conclusion, the physical explanation for the low light yield observed is proposed from experimental and theoretical insights.},
doi = {10.1016/j.jlumin.2018.05.037},
journal = {Journal of Luminescence},
number = C,
volume = 201,
place = {United States},
year = {2018},
month = {5}
}