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Updated: Jun 13, 2025
Measuring Magnetically-Tuned Ferroelectric Polarization in Liquid Crystals
Published on: August 15, 2018
Comparative computational analysis of orthoconic antiferroelectric liquid crystals: DFT analysis
Bharti Garg1, Mohammad Shariq2, Hussain J Alathlawi3
1Physics Division, School of Basic Sciences, Galgotias University, Greater Noida, 201310, India.
Context:
The study undertakes a comparative analysis of four distinct semi-fluorinated chiral Organic Active Ferroelectric Liquid Crystals (OAFLCs). The comparative analysis of the compounds is done by using various parameters, including thermodynamic, non-linear optical, electrical, atomic charge distribution, and atomic orientations. We use optimization algorithms to look at chemical reactivity, electrical properties, intermolecular interactions, and static hyperpolarizability. Sample 4 is the best choice for a wide range of display applications. This research contributes to understanding the nuanced properties of semi-fluorinated chiral OAFLCs and highlights Sample 4's potential for novel applications in display technology, owing to its superior stability and optimized properties. This study helps to enhance our understanding of the comparative analysis of semi-fluorinated chiral OAFLCs for potential advancements in display technologies by incorporating findings from key studies.
Method:
The simulations are performed using density functional theory (DFT) with the B3LYP functional for predicting molecular properties, and Vibrational Energy Distribution Analysis (VEDA) software is used to perform the vibrational analysis of the molecules.
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