Ba2Zn2B6O13: coplanar [B2O5] in unnoted U-shaped [B6O13] groups achieving large birefringence

Rui Zhang; Xin Su; Jie Zhang; Dulin Wen; Yineng Huang

doi:10.1039/d2cc03529d

Ba₂Zn₂B₆O₁₃: coplanar [B₂O₅] in unnoted U-shaped [B₆O₁₃] groups achieving large birefringence

Chem Commun (Camb). 2022 Sep 13;58(73):10182-10185. doi: 10.1039/d2cc03529d.

Authors

Rui Zhang¹, Xin Su¹, Jie Zhang², Dulin Wen¹, Yineng Huang¹

Affiliations

¹ Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics, College of Physical Science and Technology, Yili Normal University, Yining, Xinjiang, 835000, China. suxin_phy@sina.com.
² Department of Physics, Changji University, Changji, Xinjiang, 831100, China.

PMID: 36000291
DOI: 10.1039/d2cc03529d

Abstract

Currently, π-conjugated [B₂O₅] moieties are rarely studied for designing deep-UV birefringent crystals. Here, we report a new deep-UV birefringent crystal Ba₂Zn₂B₆O₁₃ with a deep-UV cut-off edge of 190 nm and large birefringence (Δn = 0.085@ 532 nm), indicating that it can be used as the birefringent material in the DUV area. The first-principles calculation analyses suggest that its large birefringence mainly originates from the coplanar [B₂O₅] dimers in the unnoted U-shaped [B₆O₁₃].