title: Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem.
abstract: A beryllium-free deep-ultraviolet (deep-UV) nonlinear optical (NLO) material K3Ba3Li2Al4B6O20F is developed mainly by the element substitution of Be for Al and Li from Sr2Be2B2O7 that was considered as one of the most promising deep-UV NLO materials. K3Ba3Li2Al4B6O20F preserves the structural merits of Sr2Be2B2O7 and thus exhibits no layering growth tendency and possesses the optical properties required for deep-UV NLO applications, including deep-UV transparency, phase-matchability, and sufficiently large second-harmonic generation (1.5 × KH2PO4). Furthermore, it overcomes the structural instability problem of Sr2Be2B2O7, which is confirmed by the obtainment of large single crystals and phonon dispersion calculations. These attributes make it very attractive for next-generation deep-UV NLO materials. The substitution of Be for Al and Li in beryllium borates provides a new opportunity to design beryllium-free deep-UV NLO materials with good performance.
authors.affiliation: State Key Laboratory of Structural Chemistry, and 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.forename: Sangen
authors.initials: S
authors.lastname: Zhao
authors.affiliation: Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, China.|University of Chinese Academy of Sciences , Beijing 100049, China.
authors.forename: Lei
authors.initials: L
authors.lastname: Kang
authors.affiliation: State Key Laboratory of Structural Chemistry, and 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.|University of Chinese Academy of Sciences , Beijing 100049, China.
authors.forename: Yaoguo
authors.initials: Y
authors.lastname: Shen
authors.affiliation: Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences , Changchun 130033, China.
authors.forename: Xiaodong
authors.initials: X
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Structural Chemistry, and 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.|University of Chinese Academy of Sciences , Beijing 100049, China.
authors.forename: Muhammad Adnan
authors.initials: MA
authors.lastname: Asghar
authors.affiliation: Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, China.
authors.forename: Zheshuai
authors.initials: Z
authors.lastname: Lin
authors.affiliation: State Key Laboratory of Structural Chemistry, and 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.|University of Chinese Academy of Sciences , Beijing 100049, China.
authors.forename: Yingying
authors.initials: Y
authors.lastname: Xu
authors.affiliation: State Key Laboratory of Structural Chemistry, and 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.forename: Siyuan
authors.initials: S
authors.lastname: Zeng
authors.affiliation: State Key Laboratory of Structural Chemistry, and 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.forename: Maochun
authors.initials: M
authors.lastname: Hong
authors.affiliation: State Key Laboratory of Structural Chemistry, and 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.forename: Junhua
authors.initials: J
authors.lastname: Luo