Two Tellurium(Iv)-Based Sulfates Exhibiting Strong Second Harmonic Generation And Moderate Birefringence As Promising Ultraviolet Nonlinear Optical Materials

Two tellurium(IV)-based sulfate nonlinear optical (NLO) materials, Te2O3(SO4) and Te(OH)3(SO4).H3O, were successfully synthesized via the mild hydrothermal method. Te2O3SO4 has a two-dimensional (2D) structure consisting of [Te6O12]8 layers as well as [SO4] groups. Te(OH)3(SO4).H3O features a simple 0D structure made up of an isolated [TeO3] pyramid and a [SO4] tetrahedra. Both of them are phase-matching materials and show remarkable powder second harmonic generation (SHG) efficiencies about 6 and 3 times that of KH2PO4 (KDP), respectively, for Te2O3SO4 and Te(OH)3(SO4).H3O. Especially for Te(OH)3(SO4).H3O, in addition to a large SHG response, it possesses a short UV cutoff edge (similar to 233 nm) as well as moderate birefringence (0.052@546.1 nm). Furthermore, theoretical calculations confirmed that their strong SHG effects are due to the synergistic effect of the [TeO3] pyramid and [SO4] tetrahedra.