Linear and non-linear optical properties of AgBO3(B=Nb, Ta): First principle study
Author
Şimşek, Şevket
Mamedov, Amirullah M.
Özbay, Ekmel
Date
2013Source Title
2013 Joint IEEE International Symposium on Applications of Ferroelectric and Workshop on Piezoresponse Force Microscopy (ISAF/PFM)
Publisher
IEEE
Pages
45 - 48
Language
English
Type
Conference PaperItem Usage Stats
153
views
views
120
downloads
downloads
Abstract
The linear and nonlinear optical properties of ferroelectrics AgBO 3 (B=Ta, Nb) are studied by density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle calculations without the scissor approximation. Specially, we present calculations of the frequency-dependent complex dielectric function ε(ω), and the second harmonic generation response coefficient χ(2)(-2ω,ω,ω) over a large frequency range in rhombohedral phase for the first time. The electronic linear electrooptic susceptibility χ(2)(-ω,ω,0) is also evaluated below the band gap. These results are based on a series of the LDA calculation using DFT. © 2013 IEEE.
Keywords
FerroelectricityLocal density approximation
Nonlinear optics
Scanning probe microscopy
Complex dielectric functions
First principle calculations
First-principle study
Linear and nonlinear optical properties
Non-linear optical properties
Response coefficient
Ferroelectric materials