TITLE:
First-Principles Study of the Optical Properties of SrHfO3
AUTHORS:
Hamdollah Salehi, Hosein Tolabinejad
KEYWORDS:
Optical Properties, SrHfO3, WIEN2k, FP-LAPW, DFT, GGA
JOURNAL NAME:
Optics and Photonics Journal,
Vol.1 No.2,
June
29,
2011
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.