Second-order nonlinear optical and photoelectric properties of Zn4B6O12S

Recently, inorganic functional materials containing multiple anions have received extensive attention in view of their comprehensive physical performances, and chalcogenide borates are such one type of rarely explored novel materials . The combination of chalcogenides and borates are attractive in view of their advantages as potential second-order nonlinear optical materials. Here, borate sulfide Zn 4 B 6 O 12 S crystallized with the I 4 ¯ 3 m structure is synthesized using a solid-state reaction, and its structure features truncated octahedron. Its powder sample presents a largest second-harmonic generation around 1.9 × KDP at 1.604 μm, and its photocurrent is 2 . 1 μA/cm 2 , much higher than that of classical photoelectric material TiO 2 (0 . 4 μA/cm 2 ). Theoretical calculations on its electronic structure and optical properties are also performed.