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J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh and C. Fiolhais, “Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy,” Physical Review B, Vol. 46, No. 23, 1992, pp. 6671-6687. doi:10.1103/PhysRevB.46.6671

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• TITLE: Investigation of the Optical Properties of CdBr2

  AUTHORS: Hamdollah Salehi, Nastaran Asareh

  KEYWORDS: Optical Properties, CdBr2, WIEN2k, FP-LAPW, DFT, GGA

  JOURNAL NAME: Optics and Photonics Journal, Vol.1 No.1, March 11, 2011

  ABSTRACT: The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric functions and optical constants are calculated using the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The theoretical calculated optical properties and energy Loss (EEL) spectrum yield a static refractive index of 2.1 and a plasmon energy of 13eV for hexagonal phase. The results, in comparison with the published data, are in good agreement with the experimental and previous theoretical results.