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A new non-centrosymmetric Gd-based borate crystal Rb7SrGd2(B5O10)3: growth, structure, and nonlinear optical and magnetic properties

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Abstract

A new non-centrosymmetric borate crystal, Rb7SrGd2(B5O10)3, was successfully grown via the spontaneous nucleation technique from the Rb2O–B2O3–SrO self-flux system. It crystallizes in the trigonal system space group R32 with lattice parameters a = b = 13.4975(5) Å, c = 15.3223(8) Å, α = β = 90°, γ = 120°, and Z = 3. Its three-dimensional framework is composed of isolated GdO6 and SrO6 octahedra, RbOn (n = 6 and 8) polyhedra, and [B5O10]5− clusters. Rb7SrGd2(B5O10)3 exhibits multifunctional properties, and has both moderate second harmonic generation (SHG) responses (0.5 × KDP) and paramagnetic characteristics with μeff = 8.18μB. Thermal stability, Fourier transform infrared spectroscopy, and UV-Vis-NIR diffuse reflectance spectroscopy were performed to characterize the title compound. Its electronic band structures and density of states were also investigated via first-principles calculations.

Graphical abstract: A new non-centrosymmetric Gd-based borate crystal Rb7SrGd2(B5O10)3: growth, structure, and nonlinear optical and magnetic properties

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Article information


Submitted
19 May 2020
Accepted
10 Jun 2020
First published
11 Jun 2020

Dalton Trans., 2020, Advance Article
Article type
Paper

A new non-centrosymmetric Gd-based borate crystal Rb7SrGd2(B5O10)3: growth, structure, and nonlinear optical and magnetic properties

W. Liu, X. Liu, J. Shen, Y. Li, H. Song, J. Feng, Z. Lin and G. Zhang, Dalton Trans., 2020, Advance Article , DOI: 10.1039/D0DT01793K

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