A new cerium iodate infrared nonlinear optical material with a large second-harmonic generation response†
Abstract
A new rare earth ternary iodate, Ce2I6O18, has been synthesized by a high temperature hydrothermal method with homemade alloy reactor equipment. It crystallizes in the monoclinic system space group P21 with a = 8.7252(2) Å, b = 7.0474(1) Å, c = 13.096(3) Å, β = 90.81(0)°, Z = 2, and V = 805.2(3) Å3. The material exhibits a three dimensional structure consisting of unlimited extending CeO9 polyhedrons and IO3 triangular pyramidal bilayers connected by I⋯O long bonds. The electronic band structure and optical properties of Ce2I6O18 were studied. It belongs to the type I phase-matchable class with an IR cutoff wavelength of 12.2 μm and second-harmonic generation (SHG) response of about 9 × KH2PO4 (KDP).