文献类型：期刊文献

英文题名：Calculation on frequency and temperature properties of birefringence of nematic liquid crystal 5CB in terahertz band

作者：Chen, Zezhang[1,2];Jiang, Lijuan[2];Ma, Heng[1]

第一作者：Chen, Zezhang;陈泽章

通讯作者：Ma, H[1]

机构：[1]Henan Normal Univ, Coll Phys & Elect Engn, Xinxiang 453007, Peoples R China;[2]Xinxiang Univ, Coll Phys & Elect Engn, Xinxiang 453003, Peoples R China

第一机构：Henan Normal Univ, Coll Phys & Elect Engn, Xinxiang 453007, Peoples R China

通讯机构：[1]corresponding author), Henan Normal Univ, Coll Phys & Elect Engn, Xinxiang 453007, Peoples R China.

年份：2016

卷号：645

起止页码：205-209

外文期刊名：CHEMICAL PHYSICS LETTERS

收录：;EI(收录号：20160301829260);Scopus(收录号：2-s2.0-84954309219);WOS:【SCI-EXPANDED(收录号:WOS:000368828000037)】；

基金：This work was supported by the National Natural Science Foundation of China (No. 61540016), the Innovation Talants Program of Science and Technology of Institution of Higher Education of Henan Province, China (Grant No. 14HASTIT044).

语种：英文

外文关键词：Birefringence - Computation theory - Design for testability - Nematic liquid crystals - Refractive index - Temperature distribution

摘要：This letter provides a computational method for predicting birefringence of nematic liquid crystal (LC) in the terahertz band. Using Vuks' approximation and Haller's approach combination with density functional theory (DFT) and time-dependent density functional theory (TDDFT) method, we calculated the frequency and temperature dependence refractive indices and birefringence of LC 5CB in a frequency range 0.2-1.0 THz. The greater agreement between calculated results and experimental values indicates that this is an applicable method to predict optoelectronic properties of LC materials in THz band. The present work gives a useful guide to screen or design LC molecules for THz applications. (C) 2016 Elsevier B.V. All rights reserved.