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

doi:10.1088/1674-1056/24/3/034205

Abstract

The study of the linear and nonlinear optical properties of ZnGeP₂ 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 the 2n+1 theorem methods. Both of the results of these two methods reasonably coincided with the experimental results.

Keywords: ZnGeP₂ phonon effect 2n+1 theorem “sum over state&rdquo method

Received: 23 July 2014
Revised: 30 October 2014
Accepted manuscript online:

PACS:	78.20.-e	(Optical properties of bulk materials and thin films)
	42.65.-k	(Nonlinear optics)

Fund:

Project supported by the National Natural Science Foundation of China (Grant No. 51202250) and the Knowledge Innovation Program of the Chinese Academy of Sciences (Grant No. 13J131211).

Corresponding Authors: Wu Hai-Xin
E-mail: hxwu@ircrystal.com

Cite this article:

Xiao Rui-Chun (肖瑞春), Wu Hai-Xin (吴海信), Ni You-Bao (倪友保), Wang Zhen-You (王振友), Huang Chang-Bao (黄昌保), Cheng Xu-Dong (程旭东) First-principles study on linear and nonlinear optical properties of ZnGeP₂ 2015 Chin. Phys. B 24 034205

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

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