BaB8O12F2: a promising deep-UV birefringent material†
Abstract
A new fluorooxoborate, BaB8O12F2, was obtained in this study. It inherits the structural merits of α-BBO (large polarizability of the B3O6 groups) and the nearly parallel arrangement of [B4O6F]∞ layers in CBF. First-principles calculations show that BaB8O12F2 exhibits a large bandgap (6.85 eV) and possesses a large birefringence of 0.116 at 1064 nm.