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Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment

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Main Authors: Reshak, Ali Hussain, I. V., Kityk, S., Auluck
Other Authors: maalidph@yahoo.co.uk
Format: Article
Language:English
Published: American Chemical Society 2011
Subjects:
Single crystals
Non-linear optical
KTiOPO4
Online Access:http://dspace.unimap.edu.my/xmlui/handle/123456789/11109
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spelling my.unimap-111092011-03-09T02:59:23Z Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment Reshak, Ali Hussain I. V., Kityk S., Auluck maalidph@yahoo.co.uk Single crystals Non-linear optical KTiOPO4 Link to publisher's homepage at http://pubs.acs.org/ Experimental and theoretical studies of the linear and nonlinear optical susceptibilities for single crystals of potassium titanyl phosphate KTiOPO 4 are reported. The state-of-the-art full potential linear augmented plane wave method, based on the density functional theory, was applied for the theoretical investigation. The calculated direct energy band gap at γ, using the Engel-Vosko exchange correlation functional, is found to be 3.1 eV. This is in excellent agreement with the band gap obtained from the experimental optical absorption spectra (3.2 eV). We have calculated the complex dielectric susceptibility ε(Ω)dispersion, its zero-frequency limit ε1(0) and the birefringence of KTiOPO4. The calculated birefringence at the zero-frequency limit δn(0) is equal to about 0.07 and δn(Ω) at 1.165 eV (Λ = 1064 nm) is 0.074. We also report calculations of the complex second-order optical susceptibility dispersions for the principal tensor components: ξ113(2)(Ω), ξ232(2)(Ω), ξ311(2)(Ω), ξ322(2)(Ω), and ξ333(2)(Ω). The intra- and interband contributions to these susceptibilities are evaluated. The calculated total second order susceptibility tensor components |ξijk(2)(Ω)| at Λ = 1064 nm for all the five tensor components are compared with those obtained from our measurements performed by nanosecond Nd:YAG laser at the fundamental wavelength (Λ = 1064 nm). Our calculations show reasonably good agreement with our experimental nonlinear optical data and the results obtained by other authors. The calculated the microscopic second order hyperpolarizability, β333, vector component along the dipole moment direction for the dominant component ξ333(2)(Ω) is found to be 31.6 - 10-30 esu, at Λ = 1064 nm. 2011-03-09T02:59:23Z 2011-03-09T02:59:23Z 2010-12-23 Article Journal of Physical Chemistry B, vol. 114(50), 2010, pages 16705-16712 1520-6106 http://pubs.acs.org/doi/abs/10.1021/jp1072878 http://hdl.handle.net/123456789/11109 en American Chemical Society
institution Universiti Malaysia Perlis
building UniMAP Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Perlis
content_source UniMAP Library Digital Repository
url_provider http://dspace.unimap.edu.my/
language English
topic Single crystals
Non-linear optical
KTiOPO4
spellingShingle Single crystals
Non-linear optical
KTiOPO4
Reshak, Ali Hussain
I. V., Kityk
S., Auluck
Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment
description Link to publisher's homepage at http://pubs.acs.org/
author2 maalidph@yahoo.co.uk
author_facet maalidph@yahoo.co.uk
Reshak, Ali Hussain
I. V., Kityk
S., Auluck
format Article
author Reshak, Ali Hussain
I. V., Kityk
S., Auluck
author_sort Reshak, Ali Hussain
title Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment
title_short Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment
title_full Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment
title_fullStr Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment
title_full_unstemmed Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment
title_sort investigation of the linear and nonlinear optical susceptibilities of ktiopo4 single crystals: theory and experiment
publisher American Chemical Society
publishDate 2011
url http://dspace.unimap.edu.my/xmlui/handle/123456789/11109
_version_ 1643790075740291072
score 13.222552

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