Inelastic neutron scattering study of the anisotropic S=1 spin chain [Ni(HF2)(3–Clpyridine)4]BF4

Pajerowski, Daniel M.; Manson, Jamie L.; Herbrych, Jacek; Bendix, Jesper; Podlesnyak, Andrey A.; Cain, John M.; Meisel, Mark W.

doi:10.1103/PhysRevB.101.094431

Inelastic neutron scattering study of the anisotropic $S = 1$ spin chain $[Ni ({HF}_{2}) (3 - Clpyridine)_{4}] {BF}_{4}$

Journal Article · Fri Mar 27 00:00:00 EDT 2020 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.101.094431· OSTI ID:1606713

^[1]; ^[2]; ^[3]; Bendix, Jesper ^[4]; ^[1]; ^[5]; ^[5]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Eastern Washington Univ., Cheney, WA (United States)
Wrocław Univ. of Science and Technology (Poland); Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Copenhagen (Denmark)
Univ. of Florida, Gainesville, FL (United States)

[Ni(HF₂)(3–Clpyridine)₄]BF₄ (NBCT) is a one-dimensional, S = 1 spin chain material that shows no magnetic neutron Bragg peaks down to temperatures of 0.1 K. Previous work identified NBCT as being 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, 11B-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). Here, 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.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: National Science Foundation; National Science Foundation Cooperative; Polish National Agency of Academic Exchange (NAWA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1606713

Alternate ID(s):: OSTI ID: 1606615

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 9 Vol. 101; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (26)

The ORCA program system: The ORCA program system Neese, Frank Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 1 https://doi.org/10.1002/wcms.81	journal	June 2011
Zur Theorie der Metalle: I. Eigenwerte und Eigenfunktionen der linearen Atomkette Bethe, H. Zeitschrift f�r Physik, Vol. 71, Issue 3-4 https://doi.org/10.1007/BF01341708	journal	March 1931
Continuum dynamics of the 1-D Heisenberg antiferromagnet: Identification with the O(3) nonlinear sigma model Haldane, F. D. M. Physics Letters A, Vol. 93, Issue 9 https://doi.org/10.1016/0375-9601(83)90631-X	journal	February 1983
Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments Arnold, O.; Bilheux, J. C.; Borreguero, J. M. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764 https://doi.org/10.1016/j.nima.2014.07.029	journal	November 2014
Effect of small in-plane anisotropy in the large-D phase systems based on Ni2+ (S=1) ions in Heisenberg antiferromagnetic chains Rudowicz, Czesław Physica B: Condensed Matter, Vol. 436 https://doi.org/10.1016/j.physb.2013.12.007	journal	March 2014
Enhancing easy-plane anisotropy in bespoke Ni(II) quantum magnets Manson, Jamie L.; Manson, Zachary E.; Sargent, Ashley Polyhedron, Vol. 180 https://doi.org/10.1016/j.poly.2020.114379	journal	April 2020
[Ni(HF ₂ )(3-Clpy) ₄ ]BF ₄ (py = pyridine): Evidence for Spin Exchange Along Strongly Distorted F···H···F ^– Bridges in a One-Dimensional Polymeric Chain Manson, Jamie L.; Baldwin, Adora G.; Scott, Brian L. Inorganic Chemistry, Vol. 51, Issue 14 https://doi.org/10.1021/ic300111k	journal	April 2012
SciPy 1.0: fundamental algorithms for scientific computing in Python Virtanen, Pauli; Gommers, Ralf; Oliphant, Travis E. Nature Methods https://doi.org/10.1038/s41592-019-0686-2	journal	February 2020
Conversion method of powder inelastic scattering data for one-dimensional systems Tomiyasu, K.; Fujita, M.; Kolesnikov, A. I. Applied Physics Letters, Vol. 94, Issue 9 https://doi.org/10.1063/1.3089566	journal	March 2009
The new cold neutron chopper spectrometer at the Spallation Neutron Source: Design and performance Ehlers, G.; Podlesnyak, A. A.; Niedziela, J. L. Review of Scientific Instruments, Vol. 82, Issue 8 https://doi.org/10.1063/1.3626935	journal	August 2011
Quantum spin chains and the Haldane gap Affleck, I. Journal of Physics: Condensed Matter, Vol. 1, Issue 19 https://doi.org/10.1088/0953-8984/1/19/001	journal	May 1989
Unusual Magnetic Response of an S = 1 Antiferromagetic Linear-Chain Material Xia, Jian-Sheng; Ozarowski, Andrzej; Spurgeon, Peter M. Journal of Physics: Conference Series, Vol. 969 https://doi.org/10.1088/1742-6596/969/1/012121	journal	March 2018
Preroughening transitions in crystal surfaces and valence-bond phases in quantum spin chains den Nijs, Marcel; Rommelse, Koos Physical Review B, Vol. 40, Issue 7 https://doi.org/10.1103/PhysRevB.40.4709	journal	September 1989
Dispersion of magnetic excitations in a spin-1 chain with easy-plane anisotropy Golinelli, O.; Jolicoeur, Th.; Lacaze, R. Physical Review B, Vol. 46, Issue 17 https://doi.org/10.1103/PhysRevB.46.10854	journal	November 1992
Numerical renormalization-group study of low-lying eigenstates of the antiferromagnetic S =1 Heisenberg chain White, Steven R.; Huse, David A. Physical Review B, Vol. 48, Issue 6 https://doi.org/10.1103/PhysRevB.48.3844	journal	August 1993
Inelastic-neutron-scattering study of the spin dynamics in the Haldane-gap system Ni( C 2 H 8 N 2 ) 2 NO 2 ClO 4 Regnault, L. P.; Zaliznyak, I.; Renard, J. P. Physical Review B, Vol. 50, Issue 13 https://doi.org/10.1103/PhysRevB.50.9174	journal	October 1994
Ground-state phase diagram of S = 1 XXZ chains with uniaxial single-ion-type anisotropy Chen, Wei; Hida, Kazuo; Sanctuary, B. C. Physical Review B, Vol. 67, Issue 10 https://doi.org/10.1103/PhysRevB.67.104401	journal	March 2003
Quantum phase diagram and excitations for the one-dimensional S = 1 Heisenberg antiferromagnet with single-ion anisotropy Albuquerque, A. Fabricio; Hamer, Chris J.; Oitmaa, Jaan Physical Review B, Vol. 79, Issue 5 https://doi.org/10.1103/PhysRevB.79.054412	journal	February 2009
Accurate determination of the Gaussian transition in spin-1 chains with single-ion anisotropy Hu, Shijie; Normand, B.; Wang, Xiaoqun Physical Review B, Vol. 84, Issue 22 https://doi.org/10.1103/PhysRevB.84.220402	journal	December 2011
Quantum phase transitions driven by rhombic-type single-ion anisotropy in the S = 1 Haldane chain Tzeng, Yu-Chin; Onishi, Hiroaki; Okubo, Tsuyoshi Physical Review B, Vol. 96, Issue 6 https://doi.org/10.1103/PhysRevB.96.060404	journal	August 2017
Nonlinear Field Theory of Large-Spin Heisenberg Antiferromagnets: Semiclassically Quantized Solitons of the One-Dimensional Easy-Axis Néel State Haldane, F. D. M. Physical Review Letters, Vol. 50, Issue 15 https://doi.org/10.1103/PhysRevLett.50.1153	journal	April 1983
Dominance of long-lived excitations in the antiferromagnetic spin-1 chain NENP Ma, Shaolong; Broholm, Collin; Reich, Daniel H. Physical Review Letters, Vol. 69, Issue 24 https://doi.org/10.1103/PhysRevLett.69.3571	journal	December 1992
The density-matrix renormalization group Schollwöck, U. Reviews of Modern Physics, Vol. 77, Issue 1 https://doi.org/10.1103/RevModPhys.77.259	journal	April 2005
Nobel Lecture: Topological quantum matter Haldane, F. Duncan M. Reviews of Modern Physics, Vol. 89, Issue 4 https://doi.org/10.1103/RevModPhys.89.040502	journal	October 2017
Colloquium : Zoo of quantum-topological phases of matter Wen, Xiao-Gang Reviews of Modern Physics, Vol. 89, Issue 4 https://doi.org/10.1103/RevModPhys.89.041004	journal	December 2017
Characterizing the Haldane phase in quasi-one-dimensional spin-1 Heisenberg antiferromagnets Wierschem, Keola; Sengupta, Pinaki Modern Physics Letters B, Vol. 28, Issue 32 https://doi.org/10.1142/S0217984914300178	journal	December 2014

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Inelastic neutron scattering study of the anisotropic $S = 1$ spin chain $[Ni ({HF}_{2}) (3 - Clpyridine)_{4}] {BF}_{4}$