Gd(NO3)(Se2O5)·3H2O: A nitrate-selenite nonlinear optical material with a short ultraviolet cutoff edge

Chao Wu; Longhua Li; Lin Lin; Zhipeng Huang; Mark G. Humphrey; Chi Zhang

doi:10.1039/d0dt00116c

Gd(NO₃)(Se₂O₅)·3H₂O: A nitrate-selenite nonlinear optical material with a short ultraviolet cutoff edge

Chao Wu, Longhua Li, Lin Lin, Zhipeng Huang, Mark G. Humphrey, Chi Zhang^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

19 Citations (Scopus)

Abstract

The first example of a rare-earth metal nitrate-selenite nonlinear optical (NLO) crystal, Gd(NO₃)(Se₂O₅)·3H₂O (1), was synthesized by hydrothermal reaction. This compound crystallizes in the noncentrosymmetric space group P2₁2₁2₁, and its structure features two-dimensional (2D) [Gd(NO₃)(Se₂O₅)]_∞ layers, extending to a pseudo-3D framework linked by hydrogen bonds. 1 exhibits a phase-matchable SHG efficiency about 0.2 times that of KH₂PO₄ (KDP) and a large laser damage threshold of 236.26 MW cm^-2. The UV-Vis-NIR diffuse reflectance spectroscopy study shows that the UV cutoff edge of 1 is 224 nm, which is the shortest value observed among selenite-based NLO materials. The birefringence of 1 is 0.109@1064 nm based on density functional theory calculations. These optical properties make 1 a potential UV NLO material. Theoretical studies using density functional theory have been implemented to further understand the relationship between its optical properties and band structures.

Original language	English
Pages (from-to)	3253-3259
Number of pages	7
Journal	Dalton Transactions
Volume	49
Issue number	10
DOIs	https://doi.org/10.1039/d0dt00116c
Publication status	Published - 14 Mar 2020

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title = "Gd(NO3)(Se2O5)·3H2O: A nitrate-selenite nonlinear optical material with a short ultraviolet cutoff edge",

abstract = "The first example of a rare-earth metal nitrate-selenite nonlinear optical (NLO) crystal, Gd(NO3)(Se2O5)·3H2O (1), was synthesized by hydrothermal reaction. This compound crystallizes in the noncentrosymmetric space group P212121, and its structure features two-dimensional (2D) [Gd(NO3)(Se2O5)]∞ layers, extending to a pseudo-3D framework linked by hydrogen bonds. 1 exhibits a phase-matchable SHG efficiency about 0.2 times that of KH2PO4 (KDP) and a large laser damage threshold of 236.26 MW cm-2. The UV-Vis-NIR diffuse reflectance spectroscopy study shows that the UV cutoff edge of 1 is 224 nm, which is the shortest value observed among selenite-based NLO materials. The birefringence of 1 is 0.109@1064 nm based on density functional theory calculations. These optical properties make 1 a potential UV NLO material. Theoretical studies using density functional theory have been implemented to further understand the relationship between its optical properties and band structures.",

author = "Chao Wu and Longhua Li and Lin Lin and Zhipeng Huang and Humphrey, {Mark G.} and Chi Zhang",

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T2 - A nitrate-selenite nonlinear optical material with a short ultraviolet cutoff edge

AU - Wu, Chao

AU - Li, Longhua

AU - Lin, Lin

AU - Huang, Zhipeng

AU - Humphrey, Mark G.

AU - Zhang, Chi

PY - 2020/3/14

Y1 - 2020/3/14

N2 - The first example of a rare-earth metal nitrate-selenite nonlinear optical (NLO) crystal, Gd(NO3)(Se2O5)·3H2O (1), was synthesized by hydrothermal reaction. This compound crystallizes in the noncentrosymmetric space group P212121, and its structure features two-dimensional (2D) [Gd(NO3)(Se2O5)]∞ layers, extending to a pseudo-3D framework linked by hydrogen bonds. 1 exhibits a phase-matchable SHG efficiency about 0.2 times that of KH2PO4 (KDP) and a large laser damage threshold of 236.26 MW cm-2. The UV-Vis-NIR diffuse reflectance spectroscopy study shows that the UV cutoff edge of 1 is 224 nm, which is the shortest value observed among selenite-based NLO materials. The birefringence of 1 is 0.109@1064 nm based on density functional theory calculations. These optical properties make 1 a potential UV NLO material. Theoretical studies using density functional theory have been implemented to further understand the relationship between its optical properties and band structures.

AB - The first example of a rare-earth metal nitrate-selenite nonlinear optical (NLO) crystal, Gd(NO3)(Se2O5)·3H2O (1), was synthesized by hydrothermal reaction. This compound crystallizes in the noncentrosymmetric space group P212121, and its structure features two-dimensional (2D) [Gd(NO3)(Se2O5)]∞ layers, extending to a pseudo-3D framework linked by hydrogen bonds. 1 exhibits a phase-matchable SHG efficiency about 0.2 times that of KH2PO4 (KDP) and a large laser damage threshold of 236.26 MW cm-2. The UV-Vis-NIR diffuse reflectance spectroscopy study shows that the UV cutoff edge of 1 is 224 nm, which is the shortest value observed among selenite-based NLO materials. The birefringence of 1 is 0.109@1064 nm based on density functional theory calculations. These optical properties make 1 a potential UV NLO material. Theoretical studies using density functional theory have been implemented to further understand the relationship between its optical properties and band structures.

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JF - Dalton Transactions

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ER -

Gd(NO₃)(Se₂O₅)·3H₂O: A nitrate-selenite nonlinear optical material with a short ultraviolet cutoff edge

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