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 2LiF (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 Hongwei,Wu Hongping,Pan Shilie,et al. new salt-inclusion borate, li3ca9(bo3)(7)center dot 2lif: a promising uv nlo material with the coplanar and high density bo3 triangles[J]. INORGANIC CHEMISTRY,2013,52(9):5359-5365.