First-principles study on linear and nonlinear optical properties of ZnGeP2

The study of the linear and nonlinear optical properties of Zn Ge P2 based on density functional theory has been carried out. In order to get a more physical picture in the infrared region, terms which are considered as the phonon effect were added to the calculated refractive dispersion curves. The...

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Published in中国物理B：英文版 no. 3; pp. 185 - 188
Main Author 肖瑞春 吴海信 倪友保 王振友 黄昌保 程旭东
Format Journal Article
LanguageEnglish
Published 01.03.2015
Subjects
ZnGeP2
密度泛函理论
物理图象
第一性原理
红外区域
色散曲线
非线性光学性质
非线性光学系数
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Summary:The study of the linear and nonlinear optical properties of Zn Ge P2 based on density functional theory has been carried out. In order to get a more physical picture in the infrared region, terms which are considered as the phonon effect were added to the calculated refractive dispersion curves. The phonon-corrected calculation curves show excellent agreement with experimental refractive indexes, which gives a better comprehension of the linear optical proprieties in the transparent region. The static nonlinear optical susceptibility was investigated using approaches based on the ＂sum over states＂ and the2 n ＋ 1 theorem methods. Both of the results of these two methods reasonably coincided with the experimental results.
Bibliography:The study of the linear and nonlinear optical properties of Zn Ge P2 based on density functional theory has been carried out. In order to get a more physical picture in the infrared region, terms which are considered as the phonon effect were added to the calculated refractive dispersion curves. The phonon-corrected calculation curves show excellent agreement with experimental refractive indexes, which gives a better comprehension of the linear optical proprieties in the transparent region. The static nonlinear optical susceptibility was investigated using approaches based on the ＂sum over states＂ and the2 n ＋ 1 theorem methods. Both of the results of these two methods reasonably coincided with the experimental results.
Xiao Rui-Chun, Wu Hai-Xin, Ni You-Bao, Wang Zhen-You, Huang Chang-Bao, and Cheng Xu-Dong （ a） Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China; b） University of Chinese Academy of Sciences, Beijing 100049, China
ZnGeP2,phonon effect,2n＋1 theorem,＂sum over state＂ method
11-5639/O4
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/24/3/034205