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Title: CsMgCl{sub 3}: A promising cross luminescence material

Full-potential linearized augmented plane wave method has been used to study the cross luminescence of halide scintillators. The electronic structure and optical properties of alkali halides such as CsMgCl{sub 3}, CsCaCl{sub 3}, and CsSrCl{sub 3} are presented. One of the major criteria for the cross luminescence to happen is the energy difference between valence band and next deeper core valence band being lesser when compared to energy gap of the compound, so that radiative electronic transition may occur between core valence band and valence band which might lead to fast scintillation. We found this criterion to be satisfied in these compounds leading to cross luminescence. The presence of high energy peaks in the absorption spectra indicates the creation of holes in the core valence band, which is an essential criterion for the occurrence of cross luminescence. The electronic structure, and optical properties studies clearly indicate CsMgCl{sub 3}, CsCaCl{sub 3}, and CsSrCl{sub 3} to be cross luminescence materials comparable to CsCl which is one of the well known fast scintillators. In addition, CsMgCl{sub 3} is found to be better among the studied compounds with optical isotropy though the compound is structurally anisotropic. - Graphical abstract: Absorption spectra of CsMCl{sub 3} (M=Mg,more » Ca, and Sr) along with CsCl, indicating both the spectra are similar in the lower energy region. - Highlights: • These are cross valence luminescence (CVL) materials with short day time of the order of nanosecond. • Chemical bonding of these compounds studied observed the ionic nature. • These are fast scintillators comparable to their binary halide. • CsMgCl{sub 3} good scintillator with optically isotropic nature.« less
Authors:
 [1] ;  [1] ;  [2]
  1. Department of Physics, Indian Institute of Technology Hyderabad, Ordnance Factory Estate, Yeddumailaram 502 205, Telangana (India)
  2. Advanced Center of Research in High Energy Materials (ACRHEM), University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad 500 046, Telangana (India)
Publication Date:
OSTI Identifier:
22475688
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 227; Other Information: Copyright (c) 2015 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTRA; ANISOTROPY; CALCIUM CHLORIDES; CESIUM CHLORIDES; CHEMICAL BONDS; COMPARATIVE EVALUATIONS; ELECTRONIC STRUCTURE; ENERGY GAP; HOLES; LUMINESCENCE; MAGNESIUM CHLORIDES; OPTICAL PROPERTIES; PHOSPHORS; SCINTILLATIONS; STRONTIUM CHLORIDES; VALENCE; WAVE PROPAGATION