Synthesis, crystal structure and second-order nonlinear optical property of a novel pentanary selenide (K3I)[InB12(InSe4)3]†
Abstract
A novel pentanary selenide (K3I)[InB12(InSe4)3] was obtained via a high-temperature solid-state method. It crystallizes in the hexagonal space group P6322 which features an InSe4 tetrahedron consolidated B12 icosahedron and 1-D chain constructed by InSe6 octahedron and B12Se12 cluster alternatively connected along the c-axis. Second-order nonlinear optical property measurement shows that it is second harmonic generation-active. Theory calculation indicates that it is an indirect semiconductor with the energy gap of 1.15 eV.