First-Principles Study of the Optical Properties of SrHfO₃

Hamdollah Salehi, Hosein Tolabinejad

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DOI: 10.4236/opj.2011.12012                

Abstract

The optical properties of SrHfO₃,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)by Wien2k package. The theoretical calculated optical properties and energy loss(EEL)spectrum yield a static refractive index of1. 924and a Plasmon energy of 27eVfor cubic phase. The complex dielectric functions are calculated which are in good agreement with the available experimental results.

Keywords

Optical Properties, SrHfO₃, WIEN2k, FP-LAPW, DFT, GGA

Conflicts of Interest

The authors declare no conflicts of interest.

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