Terahertz Phonon Modes of Highly Efficient Electro-optic Phenyltriene OH1 Crystals
Terahertz Phonon Modes of Highly Efficient Electro-optic Phenyltriene OH1 Crystals
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DOI：
10.1021/acs.jpcc.6b07979
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发表时间：
2016-10
影响因子：
3.7
通讯作者：
Jongtaek Kim;Seung‐Heon Lee;Seung‐Chul Lee;M. Jazbinšek;K. Miyamoto;T. Omatsu;Yoon Sup Lee;O. Kwon
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作者：
Jongtaek Kim;Seung‐Heon Lee;Seung‐Chul Lee;M. Jazbinšek;K. Miyamoto;T. Omatsu;Yoon Sup Lee;O. Kwon
了解高效电光晶体声子模式的起源对于设计材料和优化其光子应用非常重要。在这里，我们研究了基准电光 OH1（2-(3-(4-羟基苯乙烯基)-5,5-二甲基环己-2-亚烯基）丙二腈）晶体在 0.1–15 THz 范围内声子模式的起源，该晶体因其大的电光系数和高太赫兹波产生效率而令人感兴趣。 OH1 晶体的声子模式（和振动吸收特性）通过周期密度泛函理论进行理论评估，并通过太赫兹吸收光谱进行实验评估。理论计算与实验结果吻合良好。太赫兹吸收特性具有高度各向异性；与其他两个晶轴相比，沿极 c 轴的振动吸收幅度最大。作为比较，OH1 分子在气相中的振动吸收模式也可以...
Understanding the origin of the phonon modes of highly efficient electro-optic crystals is very important for designing materials and for optimizing their photonic applications. Here we investigate the origin of phonon modes in the 0.1–15 THz range of the benchmark electro-optic OH1 (2-(3-(4-hydroxystyryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile) crystal, which is interesting due to its large electro-optic coefficient and high THz-wave generation efficiency. The phonon modes (and vibrational absorption properties) of OH1 crystals are evaluated theoretically by periodic density functional theory and also experimentally by THz absorption spectroscopy. The theoretical calculations are well-matched with experimental results. The THz absorption properties are highly anisotropic; the amplitude of the vibrational absorption is the largest along the polar c-axis compared to the other two crystallographic axes. For comparison, the vibrational absorption modes of the OH1 molecule in the gas phase are also ca...