Investigation of the Optical Properties of CdBr₂

Hamdollah Salehi, Nastaran Asareh
DOI: 10.4236/opj.2011.11001                

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.

Keywords

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

Conflicts of Interest

The authors declare no conflicts of interest.

References

[1]	E. V. Baranova, A. I. Kalugin, V. V. Sobolev and V. Val. Sobolev, “X-ray, Synchrotron and Neutron Techniques,” Journal of Surface Investigation, Vol. 2, No.5, 2008, pp. 772-776.
[2]	R. D. Bringanst and W. Y. Liang, “Energy Bands of the Cadmium Halides from Electron Energy Loss,” Journal of Physical Chemistry: Solid State Phys, Vol 14, No. 7, 1981, pp 1065-1092. doi:10.1088/0022-3719/14/7/011
[3]	A. Bensouici, J. L. Plaza, E. Dieguez, O. Halimi, L. Guerbous and M. Sebais, “Optical and Structure Characterazition of KBr Crystals Doped CdBr2,” Journal of Luminescence ,Vol. 130, No. 4, 2010, pp. 688-691. doi:10.1016/j.jlumin.2009.11.020
[4]	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
[5]	M. Peterson, F. Wanger, L. Hufnagel, M. Scheffler, P. Blaha and K. Schwarz, “Improving the Efficiency of Fp-Lapw Calcula-tions,” Computer Physics Communications, Vol. 126, No. 3, 2000, pp. 294-309. doi:10.1016/S0010-4655(99)00495-6
[6]	P. Blaha and K. Schwarz, “WIEN2k,” Vienna University of Technol-ogy, Austria, 2006.
[7]	F. Wooten, “Optical properties of solids,” Acdemic Press, New York, 1972.
[8]	S. Loughin, R H French, L K De Noyer, W-Y Ching and Y-N Xu, “Critical Point Analysis of the Interband Transi-tion Strength of Electron,” Journal of Physics D: Applied Physics, Vol. 29, No. 7, 1996, pp. 1740-1750. doi:10.1088/0022-3727/29/7/009