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Updated: May 13, 2026

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
Published on: May 29, 2018
Two novel nonlinear optical carbonates in the deep-ultraviolet region: KBeCO3F and RbAlCO3F2
Lei Kang1, Zheshuai Lin, Jingui Qin
1Beijing Center for Crystal R&D, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, PR China.
Abstract:
With the rapid developments of the all-solid-state deep-ultraviolet (deep-UV) lasers, the good nonlinear optical (NLO) crystal applied in this spectral region is currently lacking. Here, we design two novel NLO carbonates KBeCO3F and RbAlCO3F2 from the first-principles theory implemented in the molecular engineering expert system especially for NLO crystals. Both structurally stable crystals possess very large energy band gaps and optical anisotropy, so they would become the very promising deep-UV NLO crystals alternative to KBBF. Recent experimental results on MNCO3F (M = K, Rb, Cs; N = Ca, Sr, Ba) not only confirm our calculations, but also suggest that the synthesis of the KBeCO3F and RbAlCO3F2 crystals is feasible.
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