BaV2O6‧H2O: A nonlinear optical crystal with a large bandgap

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Title:	BaV2O6‧H2O: A nonlinear optical crystal with a large bandgap
Authors:	Wenqiang Chen;Wenyao Zhang;Ming-Hsien Lee;Qun Jinga;Xuefang Lua;Zhaohui Chen
Keywords:	Vanadate;Large bandgap;Nonlinear optical material;Hydrothermal method
Date:	2019-02
Issue Date:	2019-09-21 12:10:26 (UTC+8)
Publisher:	Elsevier
Abstract:	The first Ba-containing hydrated vanadate as nonlinear optical (NLO) material, BaV2O6·H2O, was synthesized by facile hydrothermal method. The single-crystal X-ray diffraction result shows that this compound crystallizes in the acentric orthorhombic space group of P212121 with cell parameters a = 7.3993(6) Å, b = 8.9934(7) Å, and c = 9.7206(8) Å. UV–vis-IR diffuse reflectance spectrum shows that the compound has a large bandgap of 4.60 eV and moderate transparency range. The title compound shows second-harmonic generation (SHG) efficiency about 0.5 times of KH2PO4 (KDP). The structure-property relationship of BaV2O6·H2O was clarified by the first-principles studies.
Relation:	Optical materials 88, p.642-647
DOI:	10.1016/j.optmat.2018.12.043
Appears in Collections:	[Graduate Institute & Department of Physics] Journal Article

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