一种具有二次谐波发生和适中双折射的紫外透过稀土金属甲酸盐

A UV transparent rare earth metal formate exhibiting second harmonic generation response and moderate birefringence

本研究工作报道了一例采用溶液挥发法合成的稀土金属甲酸盐,分子式为(C(NH_(2))_(3))[Er(HCOO)_(4)]。该化合物结晶于非中心对称空间群。光学性质研究表明:该化合物具有较大光学带隙(4.76 eV)、适中的双折射率(0.066@546 nm);在1 064 nm处,其粉末倍频效应为KH_(2)PO_(4)(KDP)的0.20倍,并且可实现相位匹配。第一性原理计算和单晶结构分析揭示了线性和非线性光学效应来源于C(NH_(2))_(3)^(+)、[Er O_8]和HCOO^(-)单元的协同作用。

A rare earth metal formate,(C(NH_(2))_(3))[Er(HCOO)_(4)],was prepared via an evaporation method.Benefiting from its non-centrosymmetric structure,optical property studies reveal that (C(NH_(2))_(3))[Er(HCOO)_(4)]possessed a wide optical bandgap of 4.76 eV,moderate birefringence (0.066@546 nm),second harmonic generation (SHG) response(0.20 times that of KH_(2)PO_(4)(KDP)),and phase-matchable capabilities at 1 064 nm.Theoretical calculations and crys-tal structure analysis revealed that the optical properties can be attributed to the synergy effects of the (C(NH_(2))_(3))^(+),[ErO_8],and HCOO^(-)units.