SbO(OH)<sub>2</sub>(IO<sub>3</sub>): The First Polar Sb<sup>5+</sup>‐Iodate with a Strong Second‐Harmonic Generation Response and a Wide Bandgap

Authors: Meng‐Ya Ji, Yi‐Lin Li, Chun‐Li Hu, Jin Chen, Bing‐Xuan Li, Jiang‐Gao Mao

Published: 2024-10-28

DOI: 10.1002/smll.202407130

Source: Full article


Abstract

AbstractWidening the bandgaps while maintaining a strong second harmonic generation response has always been a research hotspot in the field of nonlinear optical iodate materials. A strategy involving covalent bonding is proposed that leverages the high valent later main group cation to construct iodates with predominantly covalent interactions. By using BiO(IO3) as a template, the first Sb5+‐containing polar iodate, SbO(OH)2(IO3) is successfully isolated. The introduction of the two hydroxide anions led to the reduction of layered BiO(IO3) into 1D SbO(OH)2(IO3) in which two corner‐sharing SbO4(OH)2 octahedra are further bridged by an iodate group. The covalently bonded [SbO(OH)2]+ chains and the optimal packing fashion of the asymmetric IO3− groups generate a very strong second harmonic generation signal of 14 times that of KH2PO4. Furthermore, SbO(OH)2(IO3) exhibits a wide bandgap of 4.14 eV and a high laser induced damage threshold [27.9 × AgGaS2, 0.2 × KH2PO4 (10 ns, 10 Hz)].