Abstract
Two deep-ultraviolet (DUV) transparent nonlinear optical (NLO) materials, AAl3P6O20 (A = Rb, Cs) (I, II), have been elaborately designed from Ba5P6O20 by aliovalent substitution strategy. Both of compounds crystallize in noncentrosymmetric (NCS) C2221 (No. 20) space group with three-dimensional (3D) ∞3Al3P6O20skeleton. The cutoff edges of I and II are lower than 190 nm, which are the shortest ones among the reported Al-based phosphates. In addition, their syntheses, thermal properties, NLO performances are discussed and the first-principles calculation elucidates the origin of the optical properties. This study shows that aliovalent substitution is an effective synthetic route for designing DUV transparent Al-based phosphates NLO materials.
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