Computational study on second-order nonlinear optical (NLO) properties of a novel class of two-dimensional Λ- and W-shaped sandwich metallocarborane-containing chromophores

2011 ◽  
Vol 696 (11-12) ◽  
pp. 2380-2387 ◽  
Author(s):  
Na Na Ma ◽  
Guo Chun Yang ◽  
Shi Ling Sun ◽  
Chun Guang Liu ◽  
Yong Qing Qiu
Keyword(s):  
Nonlinear Optical ◽  
Computational Study ◽  
Second Order ◽  
Two Dimensional ◽  
Nlo Properties

THE INVESTIGATION OF ELECTRONIC PROPERTIES AND MICROSCOPIC SECOND-ORDER NONLINEAR OPTICAL BEHAVIOR OF 1-SALICYLIDENE-3-THIO-SEMICARBAZONE

2007 ◽  
Vol 16 (01) ◽  
pp. 91-99 ◽  
Author(s):  
ASLI KARAKAS ◽  
HUSEYIN UNVER ◽  
AYHAN ELMALI
Keyword(s):  
Molecular Orbital ◽  
Electronic Transition ◽  
Nonlinear Optical ◽  
Dipole Moments ◽  
Empirical Method ◽  
Second Order ◽  
Nlo Properties ◽  
Calculation Results ◽  
Moller Plesset ◽  
Semi Empirical

To investigate the microscopic second-order nonlinear optical (NLO) behavior of the 1-salicylidene-3-thio-semicarbazone Schiff base compound, the electric dipole moments (μ), linear static polarizabilities (α) and first static hyperpolarizabilites (β) have been calculated using finite field second-order Møller-Plesset perturbation (FF MP2) theory. The ab-initio results on (hyper)polarizabilities show that the investigated molecule might have microscopic NLO properties with non-zero values. To understand the NLO behavior in the context of molecular orbital structure, we have also examined the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) and the HOMO-LUMO gap in the same theoretical framework as the (hyper)polarizability calculations. In addition to the NLO properties, the electronic transition spectra have been computed using a semi-empirical method (ZINDO). ZINDO calculation results show that the electronic transition wavelengths have been estimated to be shorter than 400 nm.

Photocross-Linked Second Order Nonlinear Optical Polymers

1990 ◽  
Vol 214 ◽  
Author(s):  
Y. M. Chen ◽  
B. K. Mandal ◽  
J. Y. Lee ◽  
P. Miller ◽  
J. Kumar ◽  
...  
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Nonlinear Optical ◽  
Nonlinear Coefficient ◽  
Second Order ◽  
Optical Polymers ◽  
Nlo Properties ◽  
Polymeric Thin Films ◽  
Nonlinear Optical Polymers ◽  
Novel Method

ABSTRACTWe report a novel method to obtain stable second order nonlinear optical (NLO) properties in polymeric thin films. Photocross-linking between the NLO active molecules and a photoreactive polymer is achieved by UV irradiation subsequent to poling. The thin film exhibits a nonlinear coefficient d33of 16.5 pm/V at a doping level of 20% by weight of NLO active molecules and possesses quite stable second order nonlinear optical properties

Computational Study on Second-Order Nonlinear Response of a Series of Two-Dimensional Carbazole-Cored Chromophores

2008 ◽  
Vol 112 (17) ◽  
pp. 7021-7028 ◽  
Author(s):  
Chun-Guang Liu ◽  
Yong-Qing Qiu ◽  
Zhong-Min Su ◽  
Guo-Chun Yang ◽  
Shi-Ling Sun
Keyword(s):  
Nonlinear Response ◽  
Computational Study ◽  
Second Order ◽  
Two Dimensional

Strain-dependent anisotropic nonlinear optical response in two-dimensional functionalized MXene Sc2CT2 (T = O and OH)

2020 ◽  
Vol 22 (37) ◽  
pp. 21428-21435
Author(s):  
Chuan He ◽  
Qiyi Zhao ◽  
Yuanyuan Huang ◽  
Wanyi Du ◽  
Lipeng Zhu ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Azimuthal Angle ◽  
Nonlinear Coefficient ◽  
Optical Response ◽  
Second Order ◽  
Nonlinear Optical Response ◽  
Two Dimensional ◽  
Strain Dependent

Due to the different contribution of the second-order nonlinear coefficient, the pattern of azimuthal angle-dependent SHG from stained Sc2CT2 monolayers depends highly on the strained states.

Computational study on redox-switchable second-order nonlinear optical properties of ferrocene-tetrathiafulvalene hybrid

RSC Advances ◽  
2014 ◽  
Vol 4 (72) ◽  
pp. 38300-38309 ◽  
Author(s):  
Chun-Guang Liu ◽  
Ming-Li Gao ◽  
Zhi-Jian Wu
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Computational Study ◽  
Density Functional Theory Calculations ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Functional Theory

Redox-switchable second-order nonlinear optical (NLO) responses of a series of ferrocene-tetrathiafulvalene (Fc–TTF) hybrids have been studied based on density functional theory calculations.

The preparation of two-dimensional spindle-type chromophores for second-order nonlinear optical materials

2012 ◽  
Vol 92 (3) ◽  
pp. 982-987 ◽  
Author(s):  
Xiaolong Zhang ◽  
Ming Li ◽  
Zuosen Shi ◽  
Lisha Zhao ◽  
Rulong Jin ◽  
...  
Keyword(s):  
Optical Materials ◽  
Nonlinear Optical ◽  
Second Order ◽  
Nonlinear Optical Materials ◽  
Two Dimensional

Second-Order Nonlinear Optical (NLO) Properties of a Multichromophoric System Based on an Ensemble of Four Organic NLO Chromophores Nanoorganized on a Cyclotetrasiloxane Architecture

2009 ◽  
Vol 113 (7) ◽  
pp. 2745-2760 ◽  
Author(s):  
Marco Ronchi ◽  
Maddalena Pizzotti ◽  
Alessio Orbelli Biroli ◽  
Stefania Righetto ◽  
Renato Ugo ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Second Order ◽  
Nlo Properties ◽  
Nlo Chromophores
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