A promising birefringent crystal Ba2Na3(B3O6)2F

Wang, Xing; Xia, Mingjun; Li, R.K.

doi:10.1016/j.optmat.2014.09.014

Cited by 64 publications

(34 citation statements)

References 20 publications

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“…Considering the generally good agreements of calculated birefringence for simple borate crystals as shown in Table 1 and references [47][48][49][50][51][52][53][54][55][56] , the enhanced birefringence of the title compound must come from the distorted ScO 6 octahedral units. It is a consensus that distorted polyhedrons, especially d 0 octahedra, are able to contribute to a large part to birefringence in certain transition metal containing materials, called as SOJT effect, for example TiO 2 [31] , BaTiO 3 [57] and recently reported BaTi(BO 3 ) 2 [32] .…”

Section: Resultsmentioning

confidence: 93%

Introducing a New d⁰ Sc³⁺ Asymmetric Ion for Functional Materials: Large Birefringence Enhancement by ScO₆ in Ba₃Sc₂(BO₃)₄

Zhou

2022

ChemPhysChem

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Transition metal ions with d 0 electronic states (Ti 4 + , Zr 4 + , Nb 5 + and Ta 5 + ) are widely investigated as functional materials. This work first illustrates that Sc 3 + ion, long-time ignored, displays a second-order Jahn-Teller (SOJT) effect similar to asymmetric oxide-coordinated transition metal ions, thus providing a new ground to seek for asymmetric functional materials with enhanced performances. In Ba 3 Sc 2 (BO 3 ) 4 , BO 3 groups are parallelly arranged, satisfying the ideal arrangement to produce large birefringence. Importantly, distorted octahedral ScO 6 with Sc 3 + ion in its d 0 electronic state enlarges birefringence unexpectedly up to 0.149 @ 550 nm, which is larger than previously reported borates containing solely BO 3 , even to B 3 O 6 units. Subsequently, the SOJT influence of distorted ScO 6 octahedra on birefringence is verified by a comparison between experimental data and theoretical calculations. In addition, Ba 3 Sc 2 (BO 3 ) 4 also displays a high transmittance in the range of 230 nm-3.5 μm with a UV cut-off wavelength at 198 nm and a large laser induced damage threshold (2.7 GW/cm 2 ), comparable to α-BaB 2 O 4 . Above characteristics imply that the title compound may be a promising birefringent material.

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Section: Resultsmentioning

confidence: 93%

Introducing a New d⁰ Sc³⁺ Asymmetric Ion for Functional Materials: Large Birefringence Enhancement by ScO₆ in Ba₃Sc₂(BO₃)₄

Zhou

2022

ChemPhysChem

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“…The artificial crystal KBBF is aw ell-known borate fluoride. There are many other borate fluoride opticalm aterials, such as MBe 2 BO 3 F 2 (M = NH 4 ,N a, Rb, and Cs), [33,[83][84][85] g-Be 2 BO 3 F, [83] BABF, [63,64] Ca 5 (BO 3 ) 3 F, [86][87][88] Rb 3 Al 3 B 3 O 10 F, [89] BaZn-BO 3 F, [90,91] Na 3 Ba 2 (B 3 O 6 ) 2 F, [92][93][94] [99,100] and Ba 3 B 6 O 11 F 2 . [101] Since the anionic framework of the borate fluoride is still the BÀOn etwork, the effect of fluorine on the performanceo fb orates is limited according to the anionic group theory.U nlike the former,f luorooxoborates have not been found in natural minerals.…”

Section: The Characteristics Of Fluorooxoboratesmentioning

confidence: 99%

Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials

Han

Wang

Zhang

et al. 2018

Chemistry A European J

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Borates are one of the most important classes of functional materials, and several hundreds of artificial borates have been synthesized. The substitution of oxygen by fluorine leads to manifold classes of borates. Fluorooxoborates (also known as fluoroborates), in which the F atoms covalently connect with the B atoms, show additional compositional and structural diversity compared to classic borates. Recently, owing to the large polarizability anisotropy, large HOMO-LUMO gaps, and high hyperpolarizability of the oxyfluoride BO F building blocks, fluorooxoborates have received unprecedented attention in the search for new ultraviolet (UV) and deep-UV (DUV) nonlinear optical (NLO) materials. Specifically, some compounds have excellent NLO properties that are comparable or superior to KBe BO F , which is the only usable crystal that generates coherent light below 200 nm through a direct second harmonic generation (SHG) process. This Minireview illustrates recent progress on the synthesis, crystal structures, structure-properties relationships and applications of fluorooxoborates. This paper concludes by highlighting the outstanding opportunities offered by NLO fluorooxoborate crystals as an innovative avenue for DUV all solid-state coherent light generation.

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“…The most famous birefringent crystals are calcite 1 , alpha barium borate 2 , and yttrium vanadate 3 whose birefringence at 1064 nm is as large as 0.163, 0.116, and 0.208, respectively. After firstly obtained by Beeker et al 4,5 , recently the birefringent material Na 3 Ba 2 (B 3 O 6 ) 2 F (NaBaBOF) has been independently grown by our group 6 and Li et al 7 . The birefringence is reported as 0.255 ~ 0.075 from 175 nm to 3.35 μm, comparable with the value of alpha barium borate.…”

Section: Introductionmentioning

confidence: 99%

Contribution of lone-pairs to birefringence affected by the Pb(ii) coordination environment: a DFT investigation

Jing

Yang

Pan

et al. 2015

Phys. Chem. Chem. Phys.

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Pb(II) cations have long been associated with lone-pairs which can help to enhance the optical anisotropic birefringence. In this paper, the contribution of lead cations to birefringence has been investigated using first-principles and real-space atom-cutting methods. The results show that the contribution of lead cations to birefringence is determined by the degree of stereochemical activity, which is affected by the coordination environment of lead cations.

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A promising birefringent crystal Ba2Na3(B3O6)2F

Cited by 64 publications

References 20 publications

Introducing a New d⁰ Sc³⁺ Asymmetric Ion for Functional Materials: Large Birefringence Enhancement by ScO₆ in Ba₃Sc₂(BO₃)₄

Introducing a New d⁰ Sc³⁺ Asymmetric Ion for Functional Materials: Large Birefringence Enhancement by ScO₆ in Ba₃Sc₂(BO₃)₄

Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials

Contribution of lone-pairs to birefringence affected by the Pb(ii) coordination environment: a DFT investigation

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A promising birefringent crystal Ba2Na3(B3O6)2F

Cited by 64 publications

References 20 publications

Introducing a New d0 Sc3+ Asymmetric Ion for Functional Materials: Large Birefringence Enhancement by ScO6 in Ba3Sc2(BO3)4

Introducing a New d0 Sc3+ Asymmetric Ion for Functional Materials: Large Birefringence Enhancement by ScO6 in Ba3Sc2(BO3)4

Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials

Contribution of lone-pairs to birefringence affected by the Pb(ii) coordination environment: a DFT investigation

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Introducing a New d⁰ Sc³⁺ Asymmetric Ion for Functional Materials: Large Birefringence Enhancement by ScO₆ in Ba₃Sc₂(BO₃)₄

Introducing a New d⁰ Sc³⁺ Asymmetric Ion for Functional Materials: Large Birefringence Enhancement by ScO₆ in Ba₃Sc₂(BO₃)₄