First-principles modeling of nonlinear optical properties of C 3N4 polymorphs

Jianming Hu; Wendan Cheng; Shuping Huang; Dongsheng Wu; Zhi Xie

doi:10.1063/1.2402889

First-principles modeling of nonlinear optical properties of C ₃N₄ polymorphs

Jianming Hu, Wendan Cheng, Shuping Huang, Dongsheng Wu, Zhi Xie

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35 Scopus citations

Abstract

Using the first-principles method combined with the anharmonic oscillator model, the electronic, linear, and nonlinear optical properties of four C3 N4 polymorphs are investigated. The calculations show that the third-order susceptibilities and nonlinear refractive indices increase with the increase of volume of C3 N4 polymorphs below 1.5 eV, whereas the plasmon frequencies and relativistic nonlinear refractive indices decrease. The obtained results indicate that the spinel C3 N4 has some potential applications in nonlinear optics.

Original language	English (US)
Article number	261117
Journal	Applied Physics Letters
Volume	89
Issue number	26
DOIs	https://doi.org/10.1063/1.2402889
State	Published - 2006
Externally published	Yes

Bibliographical note

Funding Information:
The authors are grateful to the National Science Foundation of China (20373073 and 90201015), the NationalBasic Research Program of China (No. 2004CB720605) for financial supports.

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abstract = "Using the first-principles method combined with the anharmonic oscillator model, the electronic, linear, and nonlinear optical properties of four C3 N4 polymorphs are investigated. The calculations show that the third-order susceptibilities and nonlinear refractive indices increase with the increase of volume of C3 N4 polymorphs below 1.5 eV, whereas the plasmon frequencies and relativistic nonlinear refractive indices decrease. The obtained results indicate that the spinel C3 N4 has some potential applications in nonlinear optics.",

author = "Jianming Hu and Wendan Cheng and Shuping Huang and Dongsheng Wu and Zhi Xie",

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AU - Hu, Jianming

AU - Cheng, Wendan

AU - Huang, Shuping

AU - Wu, Dongsheng

AU - Xie, Zhi

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