Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar cis-[Zr₆F₃₄]^10- clusters.

ABSTRACT: Traditional fluorides are rarely reported as candidates for nonlinear optical (NLO) materials featuring a deep-ultraviolet cutoff edge. Theoretical investigations suggest that the ZrF₈ dodecahedron shows large polarizability anisotropy and benefits for large birefringence. Herein, a new fluorine-rich fluoride, K₃Ba₂Zr₆F₃₁, was synthesized by coupling the ZrF₈ group, featuring acentric cis-[Zr₆F₃₄]^10- clusters with a 6₃-screw axis. Significantly, K₃Ba₂Zr₆F₃₁ exhibits a short UV cutoff edge (below 200 nm) and moderate second-harmonic generation (SHG) response (0.5 × KH₂PO₄). It also possesses a relatively large

SUBMITTER: Yan M 

PROVIDER: S-EPMC10882493 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature