Issue 2, 2015

An outstanding second-harmonic generation material BiB2O4F: exploiting the electron-withdrawing ability of fluorine

Abstract

It is well known that the incorporation of fluorine usually blue-shifts the absorption edge of a crystal due to its large electronegativity. Herein, we validate the new functionality of fluorine that leads to the strong second harmonic generation (SHG) effect in a unique nonlinear optical (NLO) bismuth borate, BiB2O4F, where F coordinates to both B3+ and Bi3+ cations. The F-incorporation not only forms a more asymmetric unit [BO3F] compared to the almost optical isotropic [BO4], but also withdraws the non-bonding electrons of Bi3+, increasing its local polarization; thus the total SHG efficiency is increased significantly. Indeed, experimental measurements and first-principles calculations both support our anticipation that BiB2O4F is a phase-matchable NLO material with an exceptionally large SHG response. In order to further consolidate the functionality of fluorine, a comparison study with the structurally similar compound BiB2O4(OH) was performed.

Graphical abstract: An outstanding second-harmonic generation material BiB2O4F: exploiting the electron-withdrawing ability of fluorine

Supplementary files

Article information

Article type
Research Article
Submitted
04 Nov 2014
Accepted
26 Dis 2014
First published
26 Dis 2014

Inorg. Chem. Front., 2015,2, 170-176

Author version available

An outstanding second-harmonic generation material BiB2O4F: exploiting the electron-withdrawing ability of fluorine

R. Cong, Y. Wang, L. Kang, Z. Zhou, Z. Lin and T. Yang, Inorg. Chem. Front., 2015, 2, 170 DOI: 10.1039/C4QI00192C

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