2024
DOI: 10.1021/acs.inorgchem.4c00261
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Wide-Band Gap Binary Semiconductor P3N5 with Highly Anisotropic Optical Linearity and Nonlinearity

Shihang Li,
Xiaolan Yan,
Zheshuai Lin
et al.

Abstract: Wide-band gap binary semiconductors find extensive use in advanced optoelectronic devices due to their exceptional electronic, optical, and defect properties. This paper systematically investigates the linear and nonlinear optical and defect properties of two P 3 N 5 structures as wide-band gap binary semiconductors and evaluates their responses to external pressure modulation using first-principles calculations. The research demonstrates that the high-pressure phase of P 3 N 5 has a broad UV solar-blind band … Show more

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