CsMgCl3: A promising cross luminescence material

G, Shwetha and V, Kanchana and G, Vaitheeswaran (2015) CsMgCl3: A promising cross luminescence material. Journal of Solid State Chemistry, 227. pp. 110-116. ISSN 0022-4596

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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 CsMgCl3, CsCaCl3, and CsSrCl3 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 CsMgCl3, CsCaCl3, and CsSrCl3 to be cross luminescence materials comparable to CsCl which is one of the well known fast scintillators. In addition, CsMgCl3 is found to be better among the studied compounds with optical isotropy though the compound is structurally anisotropic.

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IITH Creators:
IITH CreatorsORCiD
Item Type: Article
Additional Information: V.K. would like to acknowledge IIT Hyderabad for the computational resources. G.S. would like to acknowledge IIT Hyderabad for computational facility and MHRD for the fellowship. G. V. thank Center for Modelling Simulation and Design-University of Hyderabad (CMSD-UoH) for providing computational facility.
Uncontrolled Keywords: Band structure; Cross luminescence; Electronic structure; Optical properties
Subjects: Physics
Divisions: Department of Physics
Depositing User: Team Library
Date Deposited: 27 Apr 2015 11:56
Last Modified: 16 Aug 2017 06:30
URI: http://raiith.iith.ac.in/id/eprint/1463
Publisher URL: https://doi.org/10.1016/j.jssc.2015.03.024
OA policy: http://www.sherpa.ac.uk/romeo/issn/0022-4596/
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