Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2

Luo, Min; Liang, Fei; Hao, Xin; Lin, Ding; Li, Bingxuan; Lin, Zheshuai; Ye, Ning

doi:10.1021/acs.chemmater.0c00196

Cited by 78 publications

(68 citation statements)

References 52 publications

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“…The lack of spatial inversion symmetry can stabilize asymmetric exchange interactions in systems with unpaired electrons, giving rise to novel physical phenomena such as multiferroics and topological spin textures [1][2][3][4][5][6]. However, engineering noncentrosymmetric (NCS) polar crystal structures for magnetic materials remains difficult, owing to a combination of several factors such as dipole-dipole interaction, steric effect, and thermodynamic effects, which often yield centrosymmetric lattices in transition metal complexes [7][8][9][10]. Polar asymmetric anions with stereo-active lone-pair electrons such as (SeO 3 ) 2− and (IO 3 ) − trigonal pyramids provide avenues for accessing NCS polar structures, facilitated by the second-order Jahn-Teller distortion [6,[11][12][13][14][15].…”

Section: Introductionmentioning

confidence: 99%

Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2

2021

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Polar magnetic materials exhibiting appreciable asymmetric exchange interactions can potentially host new topological states of matter such as vortex-like spin textures; however, realizations have been mostly limited to half-integer spins due to rare numbers of integer spin systems with broken spatial inversion lattice symmetries. Here, we studied the structure and magnetic properties of the S = 1 integer spin polar magnet β-Ni(IO3)2 (Ni2+, d8, 3F). We synthesized single crystals and bulk polycrystalline samples of β-Ni(IO3)2 by combining low-temperature chemistry techniques and thermal analysis and characterized its crystal structure and physical properties. Single crystal X-ray and powder X-ray diffraction measurements demonstrated that β-Ni(IO3)2 crystallizes in the noncentrosymmetric polar monoclinic structure with space group P21. The combination of the macroscopic electric polarization driven by the coalignment of the (IO3)− trigonal pyramids along the b axis and the S = 1 state of the Ni2+ cation was chosen to investigate integer spin and lattice dynamics in magnetism. The effective magnetic moment of Ni2+ was extracted from magnetization measurements to be 3.2(1) µB, confirming the S = 1 integer spin state of Ni2+ with some orbital contribution. β-Ni(IO3)2 undergoes a magnetic ordering at T = 3 K at a low magnetic field, μ0H = 0.1 T; the phase transition, nevertheless, is suppressed at a higher field, μ0H = 3 T. An anomaly resembling a phase transition is observed at T ≈ 2.7 K in the Cp/T vs. T plot, which is the approximate temperature of the magnetic phase transition of the material, indicating that the transition is magnetically driven. This work offers a useful route for exploring integer spin noncentrosymmetric materials, broadening the phase space of polar magnet candidates, which can harbor new topological spin physics.

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Section: Introductionmentioning

confidence: 99%

Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2

2021

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“…For the design of NCS structures, a series of strategies have been proposed, for example, introducing the p-conjugated anion groups or the distorted polyhedra with the second-order Jahn-taller (SOJT) effect cations, namely, d 0 transition metals (Ti 4+ , Nb 5+ , or W 6+ ) and cations with nonbonded electron pairs (Se 4+ , Te 4+ , or Sb 3+ ), etc. [19][20][21][22][23][24][25] Among them, the structure-directing properties of earlytransition-metal (ETM) oxide-fluoride anions caught particular attention. [26][27][28][29][30][31][32][33][34] For one thing, the local site symmetry of the ETM cation is changed from centrosymmetric to noncentrosymmetric and polar as a result of the SOJT effect, which will favor the formation of NCS structures.…”

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confidence: 99%

An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution

Hou

et al. 2021

Angew Chem Int Ed

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Rationally designing a high‐performance nonlinear optical (NLO) crystal remains a great ongoing challenge. It involves not only the design of noncentrosymmetric structures but also property optimization. In this communication, a new strategy for effectively designing the NLO crystal has been put forward, that is, using the structure‐directing property of oxyfluoride anions to obtain a noncentrosymmetric and polar structure, and then by substitution of IO3− for isovalent F− anions to further enhance the SHG response. With this strategy, a new iodate fluoride, Ba2[MoO3F(IO3)](MoO3F2) has been successfully designed from the Ba2(MoO3F2)F2 with the cis‐directing [MoO4F2]4− groups. It exhibits a large SHG response (≈8×KDP), a wide transparent region (0.30–10.92 μm), a high laser‐induced damage threshold (LDT) (88.53 MW cm−2), and a large birefringence (≈0.264@532 nm). These indicate Ba2[MoO3F(IO3)](MoO3F2) would be a promising NLO crystal.

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“…For the explored multiple anionic systems, the most ones include borate halides, [9] iodate halides, [10,11] vanadate iodates, [12,13] chalcogenide halides, [14][15][16] mixed-anion borates, [17,18] and chalcogenide borates. [19,20] From these systems' success, it can be concluded that it is a tendency to explore new multiple anionic materials for new materials' growth point.…”

Section: Introductionmentioning

confidence: 99%

Cd₃(PO₄)(TePO₆): A Novel Cadmium Tellurite‐Phosphate featuring a {[TePO₆]³⁻}_∞ Chain

Yao

Yan

et al. 2021

Eur J Inorg Chem

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New inorganic crystals containing multiple anions have received extensive attensions recently in view of their abilities to be potential multifunctional materials. Among them, telluritephosphates with simple chemical components are relatively rarely studied. Here, one novel tellurite phosphate Cd 3 (PO 4 )(TePO 6 ) was obtained through conventional soild-state reaction, and it is the first tellurite-phosphate only possessing d 10 transition metal. It crystallizes in the monoclinic space group P2 1 /c, and its structure features an interesting {[TePO 6 ] 3À } 1 chain constructed by corner-sharing connected PO 4 and TeO 4 tetrahedra. Meanwhile, we obtained a new phase of Cd 3 (PO 4 ) 2 and Cd 1.725 Mg 1.275 (PO 4 ) 2 in the exploration of tellurite-phosphates, and they also crystalize in the centric space group P2 1 /c. Crystal structures, theoretical calculations on their electronic structure and birefringence have been studied, together with the IR and UV-vis-NIR diffuse reflectance spectra.

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Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO₃)₂F₂

Cited by 78 publications

References 52 publications

Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2

Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2

An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution

Cd₃(PO₄)(TePO₆): A Novel Cadmium Tellurite‐Phosphate featuring a {[TePO₆]³⁻}_∞ Chain

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Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2

Cited by 78 publications

References 52 publications

Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2

Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2

An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution

Cd3(PO4)(TePO6): A Novel Cadmium Tellurite‐Phosphate featuring a {[TePO6]3−}∞ Chain

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Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO₃)₂F₂

Cd₃(PO₄)(TePO₆): A Novel Cadmium Tellurite‐Phosphate featuring a {[TePO₆]³⁻}_∞ Chain