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All Journal Makara Journal of Science
Kumar, Narinder
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Density Functional Theory (DFT) Study of a Binary Mixture of MBBA and PAA Liquid Crystal for THz Application Mishra, Mirtunjai; Kumar, Narinder; Singh, Pawan; Rawat, B. S.; Dhyani, Reena; Singh, Devendra; Kumar, Devesh
Makara Journal of Science Vol. 26, No. 4
Publisher : UI Scholars Hub

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Abstract

The present scenario expresses the electro-optical effect of abinary mixture of MBBA and PAA liquid crystal studied under the impact of the electric field in THz frequency. The binary mixture has a negative order parameter, negative birefringence, and a nematic phase stability under such an electric field. The refractive index remains constant at high THz frequency. The director angle is sensitive to THz frequency, contributing to the maximum fluctuation. The atomic contribution of a binary mixture is approximately equal to the molecular contribution. The binary mixture has a remarkably high bandgap. The C-H, O-C, C-N atom stretching, and wagging of alkyl chain contribute to the dipolar strength of the binary mixture.
Electro-optical Effect of 4-n-alkyl-sulfanyl-4' isothiocyanate-biphenyl Liquid Crystal Homologous Series Under Terahertz Frequency: A Theoretical Approach Kumar, Yogesh; Kumar, Narinder
Makara Journal of Science Vol. 27, No. 4
Publisher : UI Scholars Hub

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Abstract

This work presented the electro-optical effect of the homologous series 4-n-alkyl-sulfanyl-4'-isothiocyanate-biphenyl (N1SC13H8-SH2n+1Cn) under an electric field with terahertz (THz) frequency. The increase in alkyl sulfanyl chain length reduces the birefringence but increases the order parameter in THz frequency. An inverse relationship exists between the birefringence and order parameter. Meanwhile, the increase in alkyl sulfanyl chain length increases the refractive index with an even–odd effect. Birefringence, refractive index, order parameter, and director angle show an even–odd effect in the THz frequency range. The calculation is performed between 1 and 1,200 THz frequency. The isothiocyanate stretching corresponding to infrared absorbance remains unchanged for the whole series, showing potential in filtering and sensing applications.
Co-Authors Dhyani, Reena Kumar, Devesh Kumar, Yogesh Mishra, Mirtunjai Rawat, B. S. Singh, Devendra Singh, Pawan