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Researchers Find Ba3Mg3(BO3)3F3 Polymorphs with Reversible Phase Transition and High Performances as Ultraviolet Nonlinear Optical Materials

Aug 09, 2018

Nonlinear optical (NLO) materials are vital components of future photoelectric technologies as they can broaden the tunable wavelength range supplied by common laser sources. However, necessary prerequisites for a practical NLO material are rather strict. Accordingly, considerable efforts have been focused on finding potential NLO materials.
Recently, a research group led by Prof. PAN Shilie at Xinjiang Technical Institute of Physics & Chemistry of Chinese Academy of Sciences successfully designed and synthesized two new asymmetric beryllium-free borates Pna21- and P-2m-Ba3Mg3(BO3)3F3 featuring NLO-favorable layered structures through chemical cosubstitution strategy.
Collaborating with Prof. SUN Junliang from Peking University, researchers obtained the single crystals of two polymorphs. The correctness of these two crystal models was verified by relatively low temperature factors and residual factors, indicating the existence of two polymorphs.

They further confirmed Ba3Mg3(BO3)3F3 polymorphs and phase transitions by high-temperature in situ powder X-ray diffraction and thermal expansion coefficients experiment. More importantly, through finding the suitable flux system, they grew large size single crystals of Pna21-Ba3Mg3(BO3)3F3.

The optical measurements based on the crystal revealed that Pna21-BMBF possesses NLO properties required for ultraviolet NLO applications, including a sufficiently large SHG coefficient, suitable birefringence, a large LDT, a deep-ultraviolet cutoff edge, a weak anisotropic thermal expansion, the capacity of insolubility in water, type I phase-matchability, and chemical stability.

These merits on optical properties made Pna21-Ba3Mg3(BO3)3F3 a promising ultraviolet NLO material. The results were published in Nature Communications.

This work was financially supported by National Natural Science Foundation of China, National Key Research Project, and Xinjiang Key Research and Development Program.

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