title: Beryllium-free Rb3Al3B3O10F with reinforced interlayer bonding as a deep-ultraviolet nonlinear optical crystal.
abstract: A 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.
authors: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou, Fujian 350002, China.
authors: Sangen
authors: S
authors: Zhao
authors: Pifu
authors: P
authors: Gong
authors: Siyang
authors: S
authors: Luo
authors: Sijie
authors: S
authors: Liu
authors: Lina
authors: L
authors: Li
authors: Muhammad Adnan
authors: MA
authors: Asghar
authors: Tariq
authors: T
authors: Khan
authors: Maochun
authors: M
authors: Hong
authors: Zheshuai
authors: Z
authors: Lin
authors: Junhua
authors: J
authors: Luo