Linear and non-linear optical properties of AgBO3(B=Nb, Ta): First principle study

Date
2013
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Source Title
2013 Joint IEEE International Symposium on Applications of Ferroelectric and Workshop on Piezoresponse Force Microscopy (ISAF/PFM)
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Publisher
IEEE
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Pages
45 - 48
Language
English
Type
Conference Paper
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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.

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Keywords
Ferroelectricity, Local 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
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Published Version (Please cite this version)