NDLI: Trapping of Holes and Excitons in Scintillators: CsI and <formula formulatype=inline><tex Notation=TeX>${rm LaX}_{3}$</tex> </formula> ( <formula formulatype=inline><tex Notation=TeX>${rm X}={rm Cl}$</tex></formula>, Br)

Content Provider	IEEE Xplore Digital Library
Author	Van Ginhoven, R.M. Jaffe, J.E. Kerisit, S. Rosso, K.M.
Copyright Year	1963
Abstract	We present computational results for trapping of polarons and excitons in undoped CsI, LaCl₃ and LaBr₃ , using plane-wave-pseudopotential density functional theory with Hartree-Fock exact exchange. The optimized VK center and STE in CsI is a distortion of two iodine atoms from the lattice to form an interstitial bound I₂^- molecule, consistent with previous theoretical and experimental results. In both LaCl₃ and LaBr₃, the relaxed STE configuration involves only one displaced halide ion, and does not form an X₂^-. The calculated luminescence energy for the STE in LaCl₃ and LaBr₃ is 4.1 and 3.7 eV, respectively.
Sponsorship	IEEE Nuclear and Plasma Sciences Society Computer Applications in Nuclear and Plasma Sciences (CANPS) Lawrence Berkeley Lab. Lawrence Livermore Nat. Lab. APS College of William and Mary Continuous Electron Beam Accelerator Facility NASA Defence Nuclear Agency Sandia National Laboratories Jet Propulsion Laboratory Brookhaven Nat. Lab. Lawrence Livermore Nat. Lab IEEE/NPPS Radiat. Effects Committee Defence Nuclear Agency/DoD Sandia National Laboratories/DOE Jet Propulsion Laboratory/NASA Phillips Lab./DoD
Starting Page	2303
Ending Page	2308
Page Count	6
File Size	369098
File Format	PDF
ISSN	00189499
Volume Number	57
Issue Number	4
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2010-08-01
Publisher Place	U.S.A.
Access Restriction	One Nation One Subscription (ONOS)
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Excitons Luminescence Density functional theory Lattices Lanthanum Radiation detectors Optical materials Energy states US Department of Energy Charge carriers scintillator ab initio cesium iodide charge carriers density functional theory exciton lanthanum bromide lanthanum chloride luminescence modeling quantum mechanics
Content Type	Text
Resource Type	Article
Subject	Nuclear and High Energy Physics Electrical and Electronic Engineering Nuclear Energy and Engineering

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