Introduction of the coplanar BO3 triangles in the alkali metal and alkaline-earth metal mixed fluoborate generates a new UV nonlinear optical material [Li3Ca9(BO3)(7)]center dot 2[LiF] (LCBF), which possesses a moderate SHG response as large as that of the KDP and a wide transparent region with a UV cutoff edge at 230 nm. The first-principle theoretical calculation suggests that LCBF has a relatively large birefringence (0.07; 532 nm). These properties make it a potential UV nonlinear optical material. And interestingly, LCBF is a salt-inclusion borate with the Li-F chains residing in the one-dimensional open framework, which caters to the development of the salt-inclusion compound in borate.
Chinese Acad Sci, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Yu, HW ,Wu, HP ,Pan, SL ,et al. New Salt-Inclusion Borate, Li3Ca9(BO3)(7)center dot 2[LiF]: A Promising UV NLO Material with the Coplanar and High Density BO3 Triangles[J]. Inorganic Chemistry,2013,52(9):5359-5365 .