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Title: Results for aliovalent doping of CeBr{sub 3} with Ca{sup 2+}

Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr{sub 3}) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca{sup 2+}) was used as a dopant to strengthen CeBr{sub 3} without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca{sup 2+} dopant were grown, i.e., 1.9% of the CeBr{sub 3} molecules were replaced by CaBr{sub 2} molecules, to match our target replacement of 1 out of 54 cerium atoms be replaced by a calcium atom. Precisely the mixture was composed of 2.26 g of CaBr{sub 2} added to 222.14 g of CeBr{sub 3}. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca{sup 2+}-doped CeBr{sub 3} exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr{sub 3}. The structural, electronic, and optical properties of CeBr{sub 3} crystals were studied using the density functional theory within the generalized gradient approximation. Calculated lattice parameters are in agreement with the experimental data. The energy bandmore » structures and density of states were obtained. The optical properties of CeBr{sub 3}, including the dielectric function, were calculated.« less
Authors:
 [1] ; ; ;  [2] ; ; ; ; ;  [3] ;  [4]
  1. Remote Sensing Laboratory – Nellis, P. O. Box 98521, Las Vegas, Nevada 89193-8521 (United States)
  2. Materials Chemistry Department, Sandia National Laboratories, California, P. O. Box 969, Livermore, California 94551-0969 (United States)
  3. Radiation Monitoring Devices, Inc., 44 Hunt Street, Watertown, Massachusetts 02472 (United States)
  4. National Security Technologies, LLC, Los Alamos Operations, P. O. Box 809, Los Alamos, New Mexico 87544-0809 (United States)
Publication Date:
OSTI Identifier:
22275714
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; APPROXIMATIONS; CALCIUM BROMIDES; CALCIUM IONS; CERIUM BROMIDES; CONCENTRATION RATIO; DENSITY FUNCTIONAL METHOD; DIELECTRIC MATERIALS; DOPED MATERIALS; ELECTRONIC STRUCTURE; ENERGY-LEVEL DENSITY; EXCITATION; FLUORESCENCE; LANTHANUM BROMIDES; LATTICE PARAMETERS; MONOCRYSTALS; OPTICAL PROPERTIES; SCINTILLATIONS