| Autor: |
Bian, Qiang, Zuo, Xueli, Chen, Zhikang, Zhang, Bingbing, Peng, Feng, Tao, Tao |
| Zdroj: |
Inorganic Chemistry; 20220101, Issue: Preprints |
| Abstrakt: |
Deep-ultraviolet (DUV; <200 nm) nonlinear optical crystals arouse a great research interest in modern optical material science as they are key parts of solid-state lasers. Since KBe2BO3F2(KBBF) still is the only crystal which can generate DUV coherent light practically, exploring other available structures in the DUV region by revising KBBF-family structure templates is necessary. In this paper, two KBBF-family structures are designed by adjusting the directions of BO3groups or docking B and F atoms in known β-Be2BO3F (BBF). The first BBF structure with a P6322 space group is designed by strictly aligning the BO3groups of even layers and odd layers in β-BBF. It is very interesting that docking B and F atoms forms novel B–F bonds, which destroy the inversion symmetry of the structure, making the centrosymmetric β-BBF structure with the R3̅cspace group convert to a noncentrosymmetric BBF structure having the R3cspace group. This noncentrosymmetric BBF structure exhibits a DUV cutoff edge shorter than 150 nm and a second harmonic generation effect comparable to that of KH2PO4(KDP; d36= 0.39 pm/V), indicating its feasibility as a frequency-doubling crystal in the DUV region. Our conversion design provides an effective way for uncovering noncentrosymmetric structures in KBBF-family structures. |
| Databáze: |
Supplemental Index |
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