Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K2Zn3(SO4)(HSO4)2F4
收藏Figshare2021-08-24 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Non-_-Conjugated_Deep-Ultraviolet_Nonlinear_Optical_Crystal_K_sub_2_sub_Zn_sub_3_sub_SO_sub_4_sub_HSO_sub_4_sub_sub_2_sub_F_sub_4_sub_/16418246
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Deep-ultraviolet (deep-UV) (wavelengths of 2Zn3(SO4)(HSO4)2F4, has been successfully obtained by the hydrothermal method. It has a layered structure formed by [Zn3(SO4)(HSO4)2F3]∞ layers bridged via K–O and K–F bonds. Powder second-harmonic generation shows that K2Zn3(SO4)(HSO4)2F4 can achieve phase matching, and the response is ∼0.3 times that of KH2PO4. Remarkably, the single-crystal transmittance spectrum confirms that the absorption edge of K2Zn3(SO4)(HSO4)2F4 is below 200 nm, and the experimentally measured birefringence is 0.0126 at λ = 546 nm. In-depth first-principles calculations illustrate well the microscopic origin of the optical properties. This work enriches the structrual diversity of non-π-conjugated deep-UV NLO materials.
创建时间：
2021-08-24
