Article citationsMore>>

W. Zou and W. Liu, “Comprehensive ab Initio Calculation and Simulation on the Low-Lying Electronic States of TlX (X = F, Cl, Br, I, and At),” Journal of Computational Chemistry, Vol. 30, No. 4, 2009, pp. 524-539. doi:10.1002/jcc.21080

has been cited by the following article:

• TITLE: Ab Initio Calculations of Optical Properties of TlBr and TlCl Radiation Detectors

  AUTHORS: Noureddine Amrane, Maamar Benkraouda, Fathalla Hamed

  KEYWORDS: Plane Wave Method, Dielectric Function, Reflectivity, Refractive Index, Coefficient of Absorption

  JOURNAL NAME: World Journal of Condensed Matter Physics, Vol.1 No.3, August 22, 2011

  ABSTRACT: 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.