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

Wang Liu; Xiaomeng Liu; Jun Shen; Yunfei Li; Huimin Song; Jingcheng Feng; Zheshuai Lin; Guochun Zhang

doi:10.1039/d0dt01793k

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

Wang Liu, Xiaomeng Liu, Jun Shen, Yunfei Li, Huimin Song, Jingcheng Feng, Zheshuai Lin, Guochun Zhang^*

^*Corresponding author for this work

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

17 Citations (Scopus)

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.

Original language	English
Pages (from-to)	9355-9361
Number of pages	7
Journal	Dalton Transactions
Volume	49
Issue number	27
DOIs	https://doi.org/10.1039/d0dt01793k
Publication status	Published - 21 Jul 2020
Externally published	Yes

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

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) {\AA}, c = 15.3223(8) {\AA}, 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.",

author = "Wang Liu and Xiaomeng Liu and Jun Shen and Yunfei Li and Huimin Song and Jingcheng Feng and Zheshuai Lin and Guochun Zhang",

note = "Publisher Copyright: {\textcopyright} 2020 The Royal Society of Chemistry.",

year = "2020",

month = jul,

day = "21",

doi = "10.1039/d0dt01793k",

language = "English",

volume = "49",

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T1 - A new non-centrosymmetric Gd-based borate crystal Rb7SrGd2(B5O10)3

T2 - Growth, structure, and nonlinear optical and magnetic properties

AU - Liu, Wang

AU - Liu, Xiaomeng

AU - Shen, Jun

AU - Li, Yunfei

AU - Song, Huimin

AU - Feng, Jingcheng

AU - Lin, Zheshuai

AU - Zhang, Guochun

PY - 2020/7/21

Y1 - 2020/7/21

N2 - 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.

AB - 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.

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DO - 10.1039/d0dt01793k

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SN - 1477-9226

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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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