Studies on the first-order hyperpolarizability and terahertz generation in 3-nitroaniline

被引：68

作者：

Krishnakumar, V. ^{[1
]}

Nagalakshmi, R. ^{[1
]}

机构：

[1] Periyar Univ, Dept Phys, Salem 636011, Tamil Nadu, India

来源：

PHYSICA B-CONDENSED MATTER | 2008年 / 403卷 / 10-11期

关键词：

solution growth technique; nonlinear optical properties; hyperpolarizability; density functional theory; THz radiation;

D O I：

10.1016/j.physb.2007.10.341

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Single crystals of 3-nitroaniline (C6H6N2O2) also called as m-nitroaniline (m-NA) have been grown by adopting slow evaporation solution growth technique at room temperature using methanol as a solvent. To reveal the microscopic nonlinear optical properties, the first-order hyperpolarizability (beta) was evaluated by using the density functional theory (DFT) quantum chemical calculations at B3LYP/3-21 G (d,p) level. According to the results of DFT calculations, the grown crystals exhibit non-zero beta values and it might have microscopic nonlinear optical behavior which is seven times more than that of urea. Terahertz (1 THz = 10(12) Hz) radiation was also generated in the title organic nonlinear optical crystal using ultra short femtosecond laser. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：1863 / 1869

页数：7

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