Optically isotropy in scintillator host compounds M{sub 2}LaCl{sub 5} (M=Rb, and Cs): Ab-initio study

Journal Article · Wed Jun 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4918133· OSTI ID:22490542

Shwetha, G.; Vaitheeswaran, G. ^[1]

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1. Advanced Centre of Research in High Energy Materials(ACRHEM), University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad-500046, Telangana (India)

Full potential linearized augmented plane wave method (FP-LAPW) has been used to calculate the electronic structure and optical properties of high light output scintillator host compounds M{sub 2}LaCl{sub 5} (M=Rb, and Cs) with in the Tran Blaha modified Becke Johnson (TB-mBJ) potential. These are wide band gap materials with the band gap of 4.75, and 4.72 eV for Rb{sub 2}LaCl{sub 5}, and Cs{sub 2}LaCl{sub 5} respectively. From the calculated optical properties of these compounds, we find these compounds to be optically isotropic, though they are structurally anisotropic, which is an important criteria for the ceramic scintillators.

• OSTI ID: 22490542
• Journal Information: AIP Conference Proceedings, Vol. 1665, Issue 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANISOTROPY
CERAMICS
CESIUM COMPOUNDS
ELECTRONIC STRUCTURE
ENERGY GAP
EV RANGE
ISOTROPY
LANTHANUM CHLORIDES
PHOSPHORS
RUBIDIUM COMPOUNDS
VISIBLE RADIATION
WAVE PROPAGATION