期刊
INORGANIC CHEMISTRY
卷 53, 期 5, 页码 2521-2527出版社
AMER CHEMICAL SOC
DOI: 10.1021/ic402667m
关键词
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资金
- National Natural Science Foundation of China [21222102, 21373220, 51102231, 21171166, 11174297, 91022036]
- Chinese Academy of Sciences
- National Basic Research Project of China [2010CB630701, 2010CB933501, 2011CB922204, 2011CB935904]
- Key Project of Fujian Province [2012H0045]
- Key Laboratory of Functional Crystals and Laser Technology, TIPC, CAS [FCLT 201306]
A new noncentrosymmetric borate CsZn2B3O7 was synthesized by the solid-state reaction techniques. The crystals were obtained. by flux method and are of block shape without layering tendency. Single-crystal X-ray diffraction analysis reveals that the crystal structure is composed of [Zn2BO5](infinity) two-dimensional layers that are bridged by [B3O6](3-) groups to form a three-dimensional framework with one-dimensional channels occupied by Cs+ cations along the a and c axes. Thermal analysis indicates that CsZn2B3O7 melts incongruently. UV-visible-near-IR diffuse reflectance spectrum gives a short absorption edge at 218 nm. CsZn2B3O7 is phase-matchable, with a powder second-harmonic generation (SHG) efficiency of 1.5 x KDP (KDP, potassium dihydrogen phosphate) at 1064 nm, based on the Kurtz-Perry method. These results show that CsZn2B3O7 may have prospects as a UV nonlinear optical material. Interestingly, the SHG efficiency of CsZn2B3O7 is about twice that of gamma-KBe2B3O7, a structurally analogous alkaline and alkaline earth borate. First-principles calculations combined with atom-cutting analysis reveal that the ZnO4 tetrhedral groups in CsZn2B3O7 account for the SHG enhancement.
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