密度泛函理论(DFT)研究用于太赫兹应用的MBBA和PAA二元混合物液晶

IF 0.8 Q3 MULTIDISCIPLINARY SCIENCES
Mirtunjai Mishra, Narinder Kumar, Pawan Singh, B. Rawat, Reena Dhyani, Devendra Singh, Devesh Kumar
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引用次数: 0

摘要

本场景描述了在太赫兹频率电场作用下所研究的MBBA和PAA二元混合物液晶的电光效应。二元混合物具有负序参数、负双折射和向列相稳定性。折射率在高太赫兹频率下保持恒定。导角对太赫兹频率很敏感,导致最大波动。二元混合物的原子贡献近似等于分子贡献。二元混合物具有非常高的带隙。C-H、O-C、C-N原子的伸展和烷基链的摆动对二元混合物的偶极强度有影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Density Functional Theory (DFT) Study of a Binary Mixture of MBBA and PAA Liquid Crystal for THz Application
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.
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来源期刊
Makara Journal of Science
Makara Journal of Science MULTIDISCIPLINARY SCIENCES-
CiteScore
1.30
自引率
20.00%
发文量
24
审稿时长
24 weeks
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