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Open Physics

formerly Central European Journal of Physics

Editor-in-Chief: Feng, Jonathan

Managing Editor: Lesna-Szreter, Paulina

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IMPACT FACTOR 2016 (Open Physics): 0.745
IMPACT FACTOR 2016 (Central European Journal of Physics): 0.765

CiteScore 2016: 0.82

SCImago Journal Rank (SJR) 2015: 0.458
Source Normalized Impact per Paper (SNIP) 2015: 1.142

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2391-5471
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Volume 10, Issue 1 (Feb 2012)

Issues

The nonlinear optical susceptibility and electro-optic tensor of ferroelectrics: first-principle study

Suleyman Cabuk
Published Online: 2011-12-03 | DOI: https://doi.org/10.2478/s11534-011-0079-3

Abstract

The nonlinear optical properties of some ABO3 materials (BaTiO3, KNbO3, LiTaO3 and LiNbO3) are studied by density functional theory (DFT) in the local density approximation (LDA) expressions based on first-principle calculations. Our goals are to give the details of the calculations for linear and nonlinear optical properties, including the linear electro-optic (EO) tensor for some ABO3 structures with oxygen octahedral structures using first-principles methods. These results can then be used in the study of the physics of ferroelectrics, specifically, we present calculations of the second harmonic generation response coefficient X ijk(2) (−2ω, ω, ω) over a large frequency range for ABO3 crystals. The electronic linear EO susceptibility X ijk(2) (−ω, ω,0) is also evaluated below the band gap. These results are based on a series of the LDA calculations using DFT. Results for X ijk(2) (−ω, ω,0) are in agreement with experiments below the band gap. The results are compared with the theoretical calculations and the available experimental data.

Keywords: optical susceptibility; electro-optic tensor; ferroelectric; density functional theory

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About the article

Published Online: 2011-12-03

Published in Print: 2012-02-01


Citation Information: Open Physics, ISSN (Online) 2391-5471, DOI: https://doi.org/10.2478/s11534-011-0079-3.

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© 2011 Versita Warsaw. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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