A Wide Band Gap Germanate with the Largest Second Harmonic Generation Response Created by Hypoxic Strategy
Qi‐Chang Song, Chun‐Li Hu, Fang Kong, Fang Kong, Jiang‐Gao Mao
Abstract
Abstract Nonlinear optical material is one of the core components for modern laser equipment. The second harmonic generation (SHG) intensity and optical band gap are two key indicators of such materials. Herein, a wide band gap germanate, Li 3 (OH)PbGeO 4 , with the largest SHG intensity has been created successfully by hypoxic strategy via traditional hydrothermal reactions. The cations in this structure all coordinate with oxygen anions at their lowest coordination number, forming polar PbO 3 triangular pyramid and noncentrosymmetric GeO 4 , LiO 4 tetrahedrons. Li 3 (OH)PbGeO 4 exhibits a remarkable SHG response of about 27×KH 2 PO 4 (KDP), 54 % higher than the previous record. The band gap of Li 3 (OH)PbGeO 4 can reach to 3.74 eV, exceeding most inorganic germanates with SHG intensity larger than 3×KDP. Structural analysis and PAWED calculations indicate that its strong SHG response is due to the synergistic effects from PbO 3 , GeO 4 and LiO 4 groups. Furthermore, Li 3 (OH)PbGeO 4 can also present compelling broadband white‐light emission with a high color‐rendering index of up to 93. Our work not only breaks the record of SHG intensity in germanates but also provides an effective strategy in exploring new inorganic optical functional crystals.