Mr. Fan Zhen Profile

Fan Zhen

at Changchun Univ of Science and Technology

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Proceedings Article | 24 November 2021 Paper

Calculation of nonlinear optical crystal CaB5O7F3 based on first-principles

Fan Zhen, Zhixin Sun, Chao Xin, Hui Li, Guangyong Jin

Proceedings Volume 12060, 120600Z (2021) https://doi.org/10.1117/12.2606523

KEYWORDS: Nonlinear crystals, Optical properties, Crystals, Refractive index, Deep ultraviolet, Reflectivity, Absorption, Dielectrics

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Deep ultraviolet laser (wavelength less than 200nm) has a wide range of applications in laser medical, material microprocessing, laser lithography, and other cutting-edge laser technology. The nonlinear optical crystal can transform the frequency of the common band laser and produce deep ultraviolet light, which is the focus of the current laser technology research. However, the growth of crystals is time-consuming and labor-consuming. Even if some crystals are grown, their properties may not be satisfactory. In the past decade, thanks to the development of high-performance computers, the computational research scheme based on the first-principles simulation has been developed, which promotes the development of deep UV NLO crystals and guides the follow-up and further experimental exploration. At present, some mature nonlinear crystals such as BBO, CLBO, and LBO can generate deep UV lasers by nonlinear frequency conversion, but their performance is not as good as KBBF. In this paper, the band gap, band structure, and optical properties of CaB₅O₇F₃ in the KBBF family are calculated by the first-principles theory.

Proceedings Article | 24 November 2021 Paper

First-principles study of the structure and properties of cationic doping of KDP crystals

Zhixin Sun, Zhen Fan, Chao Xin, Hui Li, Guangyong Jin

Proceedings Volume 12060, 120601H (2021) https://doi.org/10.1117/12.2606829

KEYWORDS: Crystals, Iron, Crystallography, Laser crystals, Chemical species, Nonlinear crystals, Absorption, Laser damage threshold, Doping, Optical properties

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Potassium dihydrogen phosphate crystal has many advantages, such as higher linear photoelectric coefficient, lower half-wave voltage, wider transmittance band, excellent optical uniformity and the ability to grow into large size crystal, so it is the only nonlinear crystal material that can be used in inertial confinement fusion engineering. However, in practical application, the actual damage threshold of such optical components is far lower than the theoretical damage threshold, and the damage is serious when the ultraviolet laser is irradiated, components.An in-depth study of the characteristics of microdefects and their changes in physical structure and chemical properties under irradiation environment is helpful to understand the mechanism of crystal irradiation damage and improve the damage characteristics of KDP crystal. Considering that different growth processes of KDP crystals lead to different internal defects, the types of defects that determine the damage threshold may also be different. Therefore, this in the present work, based on HSE06 and PBE0 functional, the Sr²⁺，Fe³⁺ at the domestic application of KDP crystal materials, and studies the evolution characteristics of material body defects under high-energy particle irradiation by acquiring the basic characteristics of radiation damage. The research results will provide reference for the development and application of high-power laser devices. First principles calculation method was used to study the defects of Sr²⁺ metal impurity in KDP crystal and its effect on crystal light absorption performance. Considering the influence of electron exchange correlation potential on the crystal structure and the accuracy of electronic properties, the cell parameters and electronic properties of KDP crystal were calculated by using HSE06 and PBE0 functional respectively.

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