Simulation study on terahertz vibrational absorption in liquid crystal compounds |
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| Authors: | Ma Heng Shi De-Heng He Jun Peng Yu-Feng |
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| Affiliation: | Department of Physics, Henan Normal University, Xinxiang 453007, China; Department of Physics, Xinyang Normal University, Xinyang 464000, China |
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| Abstract: | The terahertz (THz) spectrum absorptions of nematic liquid crystal(LC) material, i.e. N-(p-methoxybenzylidene)-p-butylaniline (MBBA),and its relevant compounds are simulated in this paper by using thedensity functional theory (DFT) method. A strong absorptivefrequency is located at 3.65 THz for the MBBA, which is inagreement with experimental data found in the literature. The resultsuggests that the DFT method is effective for dealing with theanisotropic nematic LC compounds. |
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| Keywords: | terahertz spectroscopy N-(p-methoxybenzylidene)-p-butylaniline (MBBA) liquid crystal density functional theory |
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