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Non-Centrosymmetric RbNaMgP 2 O 7 with Unprecedented Thermo-Induced Enhancement of Second Harmonic Generation

2018; American Chemical Society; Volume: 140; Issue: 5 Linguagem: Inglês

10.1021/jacs.7b12518

1943-2984

Sangen Zhao, Xiaoyan Yang, Yi Yang, Xiaojun Kuang, Fengqi Lu, Pai Shan, Zhihua Sun, Zheshuai Lin, Maochun Hong, Junhua Luo,

Solid-state spectroscopy and crystallography

It is of great difficulty to obtain deep-UV transparent materials with enhanced second harmonic generation (SHG), mainly limited by the theoretically poor transparency of these materials in the deep-UV spectral region. Here we report a new noncentrosymmetric, deep-UV transparent phosphate RbNaMgP2O7, which undergoes a thermo-induced reversible phase transition (at a high temperature of 723 K) and correspondingly an evident SHG enhancement up to ∼1.5 times. The phase transition is aroused by the twist of [P2O7]4- dimers with deviation from the P-O-P equilibrium positions. Theoretical analyses reveal that the enhanced SHG can be ascribed to the thermo-induced collective alignment of SHG-active [P2O7]4- dimers along the polar axis of high-temperature phase. This work provides an unprecedented physical routine (to SHG-enhanced materials) that is distinguished from the traditional one by chemical design and synthesis.