Structure formation in monolayers composed of hard bent-core molecules |
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Authors: | Paweł Karbowniczek Lech Longa Agnieszka Chrzanowska |
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Institution: | 1. Institute of Physics, Cracow University of Technology, Kraków, Poland;2. Marian Smoluchowski Institute of Physics, Department of Statistical Physics and Mark Kac Center for Complex Systems Research, Jagiellonian University, Kraków, Poland |
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Abstract: | ABSTRACTWe investigate the role of excluded volume interactions instabilising different structures in monolayers filled with bent-shaped molecules using the Onsager type of density functional theory supplemented by constant-pressure Monte-Carlo simulations. We study influence of molecular features, like the apex angle, thickness of the arm and the type of the arm edges on the stability of layered structures. For simple molecular shapes taken the observed phases are dominated by the lamellar antiferroelectric type as observed experimentally, but a considerable sensitivity of the ordering to details of the molecular shape is found for order parameters and wave vectors of the structures. Interestingly, for large opening angles and not too thick molecules, a window of stable nematic splay-bend phase is shown to exist. |
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Keywords: | DFT of liquid crystals perfect order approximation MC simulations smectics nematic splay-bend |
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