title: New salt-inclusion borate, Li3Ca9(BO3)7·2[LiF]: a promising UV NLO material with the coplanar and high density BO3 triangles.
abstract: 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]·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.
authors.affiliation: Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices under Special Environments, CAS, 40-1 South Beijing Road, Urumqi 830011, China.
authors.forename: Hongwei
authors.initials: H
authors.lastname: Yu
authors.forename: Hongping
authors.initials: H
authors.lastname: Wu
authors.forename: Shilie
authors.initials: S
authors.lastname: Pan
authors.forename: Ying
authors.initials: Y
authors.lastname: Wang
authors.forename: Zhihua
authors.initials: Z
authors.lastname: Yang
authors.forename: Xin
authors.initials: X
authors.lastname: Su
mesh_terms: D001881:Borates / Q000737:chemistry*; D002118:Calcium / Q000737:chemistry*; D005459:Fluorides / Q000737:chemistry*; D018020:Lithium Compounds / Q000737:chemistry*; D008958:Models, Molecular; D012492:Salts / Q000737:chemistry; D013056:Spectrophotometry, Ultraviolet
chemical_list: D001881:Borates; D018020:Lithium Compounds; D012492:Salts; C027651:lithium fluoride; D005459:Fluorides; D002118:Calcium