Abstract
A new polar iodate fluoride, PbFIO3, was designed via multisite substitution by taking BiO(IO3) as a prototype. It crystalizes in the polar space group Iba2. Similar to BiO(IO3), it has an Aurivillius-type cationic [PbF]+ layer. As regarding IO3 polyhedron in PbFIO3, they inherit the beneficial arrangement of IO3 polyhedron in BiO(IO3), which result in the strong second-harmonic generation (SHG) response about 8 times that of KH2PO4 (KDP). In addition, benefiting from the introduction of strong electronegative F atoms replacing the O atoms of 2D (Bi2O2)2+ layer, PbFIO3 exhibits a larger band gap about 3.87 eV compared to BiO(IO3) (3.3 eV). Besides strong SHG response and wide band gap, PbFIO3 possess a moderate birefringence of 0.06@546.1 nm as well. These superior linear and nonlinear optical (NLO) properties make PbFIO3 being a potential NLO crystal.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
