Effect of small in-plane anisotropy in the large-D phase systems based on Ni2+ (S=1) ions in Heisenberg antiferromagnetic chains

Rudowicz, Czesław

doi:10.1016/j.physb.2013.12.007

Cited by 10 publications

(5 citation statements)

References 57 publications

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“…12,13 Ni(II) complexes with one-dimensional (1D) polymeric structures and with S = 1 have been the subjects of many experimental and theoretical studies associated with magnetic phenomena. [14][15][16][17][18][19] The synthesis of 1D Ni(II) coordination polymers is usually mediated by suitable bridging ligands linking Ni(II) central atoms, e.g., pyrazine (pyr) in {[Ni(pyr)(H2O)4](NO3)2•2H2O}n, 20 bromide anions in {[Ni(Br)2(tz)2]}n (tz = 1,3-thiazole) 21 or azido anions in [Ni(3,5dmpy)2(N3)2]n (3,5-dmpy = 3,5-dimethylpyridine). 22 Using the complex anion [Ni(CN)4] 2as a bridging unit, we have previously synthesized several chain-like structures, e.g., Ni(en)2Ni(CN)4 23 and Ni(dien)(mea)Ni(CN)4 (dien = diethylenetriamine, mea = 2aminoethanole); 24 the disadvantage of these cyanidocomplexes as regards their magnetism is the large distance between the paramagnetic Ni(II) atoms (approximately 10 Å), resulting in very weak intrachain exchange interactions.…”

Section: Introductionmentioning

confidence: 99%

Preparation, First Structure Analysis, and Magnetism of the Long‐Known Nickel Benzoate Trihydrate – A Linear Ni···Ni···Ni Polymer and Its Parallels with the Active Site of Urease

et al. 2016

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Nickel benzoate trihydrate (1) was prepared in singlecrystalline form by the reaction of nickel carbonate with benzoic acid in boiling aqueous solution. Its crystal structure comprises positively charged [Ni(Bz)(H2O)2]n n+ chains, benzoate anions and one independent water molecule of solvation. The hexacoordinated Ni(II) centres in the chains are triply bridged by one syn-syn carboxylato and two aqua bridges. Adjacent chains are linked by O-H•••O hydrogen bonds [O•••O distances in the range 2.647(3) -2.684 (3) Å] through solvate water molecules and benzoate anions. Thermal analysis revealed that 1 is stable up to 100 °C; further heating leads to full dehydration accompanied by an additional decomposition reaction, as characterized by IR spectra of the intermediates. Geometrical features about the Ni centers are compared to similar features at the active sites of urease. The effective magnetic moment per formula unit µeff has a value of 3.17 µB at room temperature and upon cooling reaches a maximum value of 12.39 µB at T = 4.6 K, indicating ferromagnetic coupling between the nearest Ni(II) atoms [3.0671(1) Å] within the chains; at lower temperature this is counteracted by zero-field splitting.

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Section: Introductionmentioning

confidence: 99%

Preparation, First Structure Analysis, and Magnetism of the Long‐Known Nickel Benzoate Trihydrate – A Linear Ni···Ni···Ni Polymer and Its Parallels with the Active Site of Urease

et al. 2016

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“…Prior theoretical and numerical investigations focus on the effects of the uniaxcial anisotropy (D-term) [17][18][19][20][21][22][23][24][25][26]. The effect of rhombic anisotropy (E-term) lacks a complete theoretical understanding [27,28]; however, materials with large D/J and E/J are discovered, e.g., the S=1 Q1D chains, Sr 3 NiPtO 6 [29,30], Ni(C 2 H 8 N 2 ) 2 Ni(CN) 4 (NENC) [31], [Ni(HF 2 )(3-Clpy) 4 ]BF 4 (py=pyridine) [32, 33], and Ni(C 10 H 8 N 2 ) 2 Ni(CN) 4 ·H 2 O (NBYC) [34][35][36].…”

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confidence: 99%

Quantum phase transitions driven by rhombic-type single-ion anisotropy in the S=1 Haldane chain

et al. 2017

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The spin-1 Haldane chain is an example of the symmetry-protected-topological (SPT) phase in one dimension. Experimental realization of the spin chain materials usually involves both the uniaxialtype, D(S z ) 2 , and the rhombic-type,, single-ion anisotropies. Here, we provide a precise ground-state phase diagram for spin-1 Haldane chain with these single-ion anisotropies. Using quantum numbers, we find that the Z2 symmetry breaking phase can be characterized by double degeneracy in the entanglement spectrum. Topological quantum phase transitions take place on particular paths in the phase diagram, from the Haldane phase to the Large-Ex, Large-Ey, or Large-D phases. The topological critical points are determined by the level spectroscopy method with a newly developed parity technique in the density matrix renormalization group [Phys. Rev. B 86, 024403 (2012)], and the Haldane-Large-D critical point is obtained with an unprecedented precision, (D/J)c=0.9684713(1). Close to this critical point, a small rhombic single-ion anisotropy |E|/J ≪ 1 can destroy the Haldane phase and bring the system into a y-Néel phase. We propose that the compound [Ni(HF2)(3-Clpy)4]BF4 is a candidate system to search for the y-Néel phase.Introduction. Quantum magnetism of integer-spin chains has been attracting attention for decades. It was stimulated by the Haldane conjecture [1] that the lowest excitation in the antiferromagnetic Heisenberg model are gapped if and only if the spin S is an integer. Experimental evidences for the Haldane gap were discovered in several S=1 quasi-one dimensional (Q1D) materials, e.g., [7, 8], and [Ni(C 2 H 8 N 2 ) 2 NO 2 ]BF 4 (NENB) [9]. Due to the crystal field and the spin-orbit coupling, the microscopic effective Hamiltonian for the Q1D spin chains involves the single-ion anisotropies,

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“…The NENP material with D/J = 0.18 was reported to have E/D = 0.11 [20]. A survey of large-D QPM phase chains shows a range of E/D values from 0.1 to 0.3 [21]. Wavefunction theory calculations of NBCT give D = 13.44 K (1. from Table I scales E/D values of 0.13 and 0.21 to E/J values of 0.20 and 0.31, respectively.…”

Section: Resultsmentioning

confidence: 99%

“…The NENP material with D/J = 0.18 was reported to have E/D = 0.11 [20]. A survey of large-D QPM phase chains shows a range of E/D values from 0.1 to 0.3 [21]. Wavefunction theory calculations of NBCT give D = 13.44 K (1.16 meV) and E = 1.80 K (0.155 meV) such that E/D = 0.13, while wavefunction theory calculations of a molecular analogue of NBCT give D = 7.12 K (0.61 meV) and E = 1.49 K (0.128 meV) such that E/D = 0.21.…”

Section: Resultsmentioning

confidence: 99%

Inelastic neutron scattering study of the anisotropic S=1 spin chain [Ni(HF2)(3−Clpy

et al. 2020

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Ni(HF2)(3-Clpyridine)4]BF4 (NBCT) is a one-dimensional, S = 1 spin chain material that shows no magnetic neutron Bragg peaks down temperatures of 0.1 K. Previous work identified NBCT to be in the Haldane phase and near a quantum phase transition as a function of D/J to the large-D quantum paramagnet phase (QPM), where D is the axial single-ion anisotropy and J is the intrachain superexchange. Herein, inelastic neutron scattering results are presented on partially deuterated, 11 B enriched NBCT polycrystalline samples in zero magnetic field and down to temperatures of 0.3 K. Comparison to density matrix renormalization group calculations yields D/J = 1.51 and a significant rhombic single-ion anisotropy E (E/D ≈ 0.03, E/J ≈ 0.05). These D, J, and E values place NBCT in the large-D QPM phase but precipitously near a quantum phase transition to a long-range ordered phase.

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Effect of small in-plane anisotropy in the large-D phase systems based on Ni2+ (S=1) ions in Heisenberg antiferromagnetic chains

Cited by 10 publications

References 57 publications

Preparation, First Structure Analysis, and Magnetism of the Long‐Known Nickel Benzoate Trihydrate – A Linear Ni···Ni···Ni Polymer and Its Parallels with the Active Site of Urease

Preparation, First Structure Analysis, and Magnetism of the Long‐Known Nickel Benzoate Trihydrate – A Linear Ni···Ni···Ni Polymer and Its Parallels with the Active Site of Urease

Quantum phase transitions driven by rhombic-type single-ion anisotropy in the S=1 Haldane chain

Inelastic neutron scattering study of the anisotropic S=1 spin chain [Ni(HF2)(3−Clpy

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