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Ab Initio Calculations of Optical Properties of TlBr and TlCl Radiation Detectors

Author(s): Noureddine Amrane | Maamar Benkraouda | Fathalla Hamed

Journal: World Journal of Condensed Matter Physics
ISSN 2160-6919

Volume: 01;
Issue: 03;
Start page: 63;
Date: 2011;
Original page

Keywords: Plane Wave Method | Dielectric Function | Reflectivity | Refractive Index | Coefficient of Absorption

We report on ab initio calculations of the optical properties of TlBr and TlCl binary semiconductor compounds using the self-consistent scalar relativistic full potential linear augmented plane wave band method (FP-LAPW) within the local density approximation (LDA) including the generalized gradient approximation (GGA). The accurate calculations of linear optical function (refractive index, reflectance, coefficient of absorption, and both imaginary and real dielectric function) is performed in the photon energy range up to 20 eV. The predicted optical constants agree well with the available experimental data.
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