Beryllium-Free Rb 3 Al 3 B 3 O 10 F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal
2015; American Chemical Society; Volume: 137; Issue: 6 Linguagem: Inglês
10.1021/ja5128314
ISSN1943-2984
AutoresSangen Zhao, Pifu Gong, Siyang Luo, Sijie Liu, Lina Li, Muhammad Adnan Asghar, Tariq Khan, Maochun Hong, Zheshuai Lin, Junhua Luo,
Tópico(s)High-pressure geophysics and materials
ResumoA new beryllium-free borate Rb3Al3B3O10F has been synthesized and characterized by single-crystal X-ray diffraction. It features a framework structure consisting of alveolate [Al3(BO3)3OF]∞ layers tightly bound via Al-O and Al-F bridged bonds, with the in-layer [BO3](3-) groups in nearly coplanar and aligned arrangement. This compound is transparent down to 200 nm and is phase-matchable with a powder second-harmonic generation efficiency of 1.2 times that of KH2PO4. Remarkably, it exhibits a strong interlayer bonding which is about one order larger than that of the benchmark KBe2BO3F2, thus no layering tendency was observed during the crystal growth. In addition, it is nonhygroscopic and thermally stable up to ∼1462 K. These attributes make Rb3Al3B3O10F a promising nonlinear optical crystal in the deep-ultraviolet region. First-principles calculations, combined with the anionic group theory, were adopted to rationalize the optical properties.
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