Journal
JOURNAL OF NANOELECTRONICS AND OPTOELECTRONICS
Volume 16, Issue 11, Pages 1544-1553Publisher
AMER SCIENTIFIC PUBLISHERS
DOI: 10.1166/jno.2021.3110
Keywords
ZnGeP2; Infrared Nonlinear Optical Crystal; First-Principles; Optical Properties; Electronic Structure
Funding
- National Natural Science Foundation of China [61664008]
- Natural Science of Foundation of ShannXi Province [2021JQ-635]
- Scientific and Technological Innovation Team [2017CXTD-01]
- Scientific Research Program of Yan'an University [YDQ2020-08]
- Postgraduate teaching Reform Project of Yan'an University [YDYJG2019019]
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ZnGeP2 crystal is a nonlinear optical material with a wide direct bandgap, exhibiting strong absorption and reflection in the ultraviolet region as well as strong transmittance in the infrared region. Its optical properties make it a potential candidate for infrared nonlinear optical applications.
The electronic structure and optical properties of ZnGeP2 crystal were studied using DFT. The electronic structure results showed that ZnGeP2 is a nonlinear optical crystal with a direct wide bandgap. The bandgap was calculated to be 1.99 eV using the HSE06 method, which is exactly equal to the experimental value. The optical properties showed strong absorption and reflection in the ultraviolet region and strong transmittance in the infrared region. The average static refractive index of ZnGeP2 was 2.73, and the static birefractive index was 0.04. The above results indicate that ZnGeP2 is a potential infrared nonlinear optical crystal material.
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