Synthesis, crystal structure and second-order nonlinear optical property of a novel pentanary selenide (K3I)[InB12(InSe4)3].
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.
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. gcguo@fjirsm.ac.cn and College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, P. R. China.
Sheng-Ping
SP
Guo
College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, P. R. China.
Yang
Y
Chi
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. gcguo@fjirsm.ac.cn.
Bin-Wen
BW
Liu
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. gcguo@fjirsm.ac.cn.
Guo-Cong
GC
Guo