Investigation of the Optical Properties of Yttrium Oxide by DFT

Document Type : Research Paper

Authors

1 Associate Professor, Department of Physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran

2 MSc in Physics, Department of Physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran

Abstract

Optical properties of the yttrium oxide, such as the dielectric function, refractive index and electron energy loss spectroscopy (EELS), are studied. Calculations are done by full-potential augmented plane waves (FP-LAPW) in density functional theory (DFT) framework by Wien2k package. According to EELS curve, the plasmon energy is estimated about 13eV. The obtained static refractive index is 1.92. In addition, optical conductivity diagrams show that due to the band gap at 4 eV, it is not able to excite the conduction band. The results are in good agreement with that of other theoretical and experimental works.

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Main Subjects


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