Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: Theory and experiment
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2011
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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 |
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Single crystals Non-linear optical KTiOPO4 |
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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 |
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Link to publisher's homepage at http://pubs.acs.org/ |
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maalidph@yahoo.co.uk |
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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 |
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http://dspace.unimap.edu.my/xmlui/handle/123456789/11109 |
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1643790075740291072 |