中国物理B ›› 2009, Vol. 18 ›› Issue (3): 1085-1088.doi: 10.1088/1674-1056/18/3/041

• CLASSICAL AREAS OF PHENOMENOLOGY • 上一篇    下一篇

Simulation study on terahertz vibrational absorption in liquid crystal compounds

马恒1, 赫君1, 彭玉峰1, 施德恒2   

  1. (1)Department of Physics, Henan Normal University, Xinxiang 453007, China; (2)Department of Physics, Xinyang Normal University, Xinyang 464000, China
  • 收稿日期:2008-05-09 修回日期:2008-09-26 出版日期:2009-03-20 发布日期:2009-03-20

Simulation study on terahertz vibrational absorption in liquid crystal compounds

Ma Heng(马恒)a)†, Shi De-Heng(施德恒)b), He Jun(赫君)a), and Peng Yu-Feng(彭玉峰)a)   

  1. a Department of Physics, Henan Normal University, Xinxiang 453007, China; b Department of Physics, Xinyang Normal University, Xinyang 464000, China
  • Received:2008-05-09 Revised:2008-09-26 Online:2009-03-20 Published:2009-03-20

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摘要： 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 the density functional theory (DFT) method. A strong absorptive frequency is located at 3.65 THz for the MBBA, which is in agreement with experimental data found in the literature. The result suggests that the DFT method is effective for dealing with the anisotropic nematic LC compounds.

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 the density functional theory (DFT) method. A strong absorptive frequency is located at 3.65 THz for the MBBA, which is in agreement with experimental data found in the literature. The result suggests that the DFT method is effective for dealing with the anisotropic nematic LC compounds.

Key words: terahertz spectroscopy, N-(p-methoxybenzylidene)-p-butylaniline (MBBA), liquid crystal, density functional theory

中图分类号:  (Microwave and radio-frequency interactions)

  • 78.70.Gq
63.50.-x (Vibrational states in disordered systems) 61.30.Cz (Molecular and microscopic models and theories of liquid crystal structure)