Physics

Nonlinear system

Laser

Nonlinear optics

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Atomic physics

Composite material

Thermal conduction

Ionic bonding

Materials science

Polar

Quantum mechanics

Optoelectronics

Angewandte Chemie International Edition

The search of new borates with improved functional properties has attracted considerable attention. Herein, a new polar fluorooxoborate, NaB4 O6 F (NBF) was prepared by high-temperature solid-state reaction. NBF belongs to the AB4 O6 F family (A=alkali metal or ammonium), a series of compounds that undergoes significant cation-dependent structural changes. NBF is of particular interest owing to the special cation position. Temperature-dependent ionic conductivity measurements show that NBF is a solid ionic conductor, and it has the lowest active energy of 32.5 kJ mol-1 of fluorooxoborates. NBF also shows a second-harmonic generation (SHG) response of 0.9×KH2 PO4 and 0.2×β-BaB2 O4 , at 1064 and 532 nm, respectively, and it has a short UV cutoff edge below 180 nm. Based on bond valence (BV) concepts, symmetry analysis, and the first principles calculation, the unique [B4 O6 F]∞ layer can be regarded as the "multifunctional unit", which is responsible for the observed properties of NBF.

Polar Fluorooxoborate, NaB<sub>4</sub>O<sub>6</sub>F: A Promising Material for Ionic Conduction and Nonlinear Optics

Polar Fluorooxoborate, NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics

Polar Fluorooxoborate, NaB₄O₆F: A Promising Material for Ionic Conduction and Nonlinear Optics