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Highly dispersive magnons with spin-gap-like features in the frustrated ferromagnetic S=12 chain compound Ca2Y2Cu5O10 detected by inelastic neutron scattering

M. Matsuda, J. Ma, V. O. Garlea, T. Ito, H. Yamaguchi, K. Oka, S.-L. Drechsler, R. Yadav, L. Hozoi, H. Rosner, R. Schumann, R. O. Kuzian, and S. Nishimoto
Phys. Rev. B 100, 104415 – Published 12 September 2019
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Abstract

We report inelastic neutron scattering experiments in Ca2Y2Cu5O10 and map out the full one-magnon dispersion which extends up to a record value of 53 meV for frustrated ferromagnetic (FM) edge-sharing CuO2 chain (FFESC) cuprates. A homogeneous spin-1/2 chain model with a FM nearest-neighbor (NN), an antiferromagnetic (AFM) next-nearest-neighbor (NNN) inchain, and two diagonal AFM interchain couplings (ICs) analyzed within linear spin-wave theory (LSWT) reproduces well the observed strong dispersion along the chains and a weak one perpendicularly. The ratio α=|Ja2/Ja1| of the FM NN and the AFM NNN couplings is found as 0.23, close to the critical point αc=1/4 which separates ferromagnetically and antiferromagnetically correlated spiral magnetic ground states in single chains, whereas αc>0.25 for coupled chains is considerably upshifted even for relatively weak IC. Although the measured dispersion can be described by homogeneous LSWT, the scattering intensity appears to be considerably reduced at 11.5 and 28meV. The gaplike feature at 11.5 meV is attributed to magnon-phonon coupling whereas based on density matrix renormalization group simulations of the dynamical structure factor the gap at 28 meV is considered to stem partly from quantum effects due to the AFM IC. Another contribution to that gap is ascribed to the intrinsic superstructure from the distorting incommensurate pattern of CaY cationic chains adjacent to the CuO2 ones. It gives rise to nonequivalent CuO4 units and Cu-O-Cu bond angles Φ and a resulting distribution of all exchange integrals. The J's fitted by homogeneous LSWT are regarded as average values. The record value of the FM NN integral J1=24meV among FFESC cuprates can be explained by a nonuniversal Φ(90) and Cu-O bond length dependent anisotropic mean direct FM Cu-O exchange K¯pd120meV, similar to a value of 105 meV for Li2CuO2, in accord with larger values for La2CuO4 and CuGeO3 (110meV) reported by Braden et al. [Phys. Rev. B 54, 1105 (1996)] phenomenologically. Enhanced Kpd values are also needed to compensate a significant AFM Jdd 6 meV from the dd channel, generic for FFESC cuprates but ignored so far.

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  • Received 11 June 2018
  • Revised 13 August 2019

DOI:https://doi.org/10.1103/PhysRevB.100.104415

©2019 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

M. Matsuda1, J. Ma1,*, V. O. Garlea1, T. Ito2, H. Yamaguchi2, K. Oka2, S.-L. Drechsler3, R. Yadav3, L. Hozoi3, H. Rosner4, R. Schumann5, R. O. Kuzian6,7, and S. Nishimoto3,8

  • 1Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • 2National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8562, Japan
  • 3Institute of Theoretical Solid State Physics, IFW Dresden, Helmholtzstraße 20, D-01069 Dresden, Germany
  • 4Max-Planck-Institute of Chemical Physics, Nöthnitzer Str. 40, D-01187 Dresden, Germany
  • 5Department of Physics, Institute of Theoretical Physics, TU Dresden, D-1062 Dresden, Zellescher Weg 17, Germany
  • 6Institute for Problems of Materials Science, NASU, Krzhizhanovskogo 3, 03180 Kiev, Ukraine
  • 7Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, San Sebastian/Donostia, 20018 Basque Country, Spain
  • 8Department of Physics, Institute of Theoretical Physics, TU Dresden, Mommsenstraße, D-01069 Dresden, Germany

  • *Present address: Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China.

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Issue

Vol. 100, Iss. 10 — 1 September 2019

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Images

  • Figure 1
    Figure 1

    (a) Schematic view of the CuO2 spin chains in the ac plane of Ca2R2Cu5O10 (R=Y and Nd) for an averaged idealized structure. Inchain couplings Ja1 and Ja2 as well as the two diagonal NN and NNN ICs Jac1, Jac2, and Jc are shown. The spin order in the ac plane is also depicted. Spins along +b (b) directions are shown with + (), respectively. (b) A nonideal Cu5O10 chain due to its misfit with the adjacent cationic Ca2R2 (R=Nd and Y) chains adopting symmetric distortions for simplicity. The three nonequivalent CuO4 plaquettes of this case are depicted by red, green, and blue rectangles. Here a chain has three different boundaries (red-red, red-green, and red-blue pairs of bridging O) and three different Cu-O-Cu bond angles, giving rise to three different AFM contributions to each NN coupling (see Sec. 5). At least three different NN and NNN couplings denoted by J1, J1, and J1 as well as J2, J2, and J2 [instead of two single Ja1 and Ja2 shown in panel (a)] appear. The general asymmetric chain has five nonequivalent plaquettes and a couple of five NN and NNN inchain couplings, respectively. (c) A distorted single chain according to the model by Thar et al. [8] (view along the c axis). Red (blue) spheres denote Cu (O) ions.

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  • Figure 2
    Figure 2

    (a) The weak magnon dispersion of CYCO perpendicular to the chain (a axis) direction within the ac plane [(h, 0, l) with h=0, 0.025, 0.005, and 0.1], measured at T=5.5K with Ef=13.5meV. Solid curves: the dispersions calculated using LSWT with the two skew ICs Jac1=0.12, Jac2=2.26, and the anisotropy parameter D=0.21meV. The error bars are smaller than the size of the symbols. (b) The dispersion along the b axis, which is well reproduced with Jb=0.0061, Jab=0.030, and Db=0.37meV.

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  • Figure 3
    Figure 3

    Contour maps of the INS intensity S(Q,E) for a CYCO single crystal measured at 6 K with Ei=27meV (a) and 60 meV (b). Energy resolutions at the gap energies are estimated to be 0.7meV at 11.5 meV with 27 meV Ei (a) and 2meV at 28 meV with 60 meV Ei (b). The resolution volumes projected to the EQ space are shown around the gap energies with red ellipses. Filled circles: data points reported in Refs. [21, 22]. Solid curves: the dispersion relation calculated using LSWT with J1=24, J2=5.5, Jac1=0.12, Jac2=2.26, and D=0.21meV.

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  • Figure 4
    Figure 4

    Energy cuts of the INS intensity in the (HK0) plane measured at 6 K. Spectra at 9.5 (a), 11.5 (b), and 13.5 meV (c), measured with Ei=27meV and integrated in the range of 0.1L0.1. Spectra at 23 (d), 29 (e), and 35 meV (f), measured with Ei=60meV and integrated in the range of 0.2L0.2. Red rectangles: the expected regions for line-shaped magnetic excitations along K.

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  • Figure 5
    Figure 5

    Energy (a) and T (b) dependences of the integrated intensities from constant energy cuts and scans. Solid and broken lines: guides to the eye. The thick horizontal bars near 11.5 and 28 meV in panel (a) are estimated instrumental resolution.

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  • Figure 6
    Figure 6

    Contour maps of the phonon dispersions along H (a) and K directions (b) measured at 300 K with Ei=60meV. The intensities plotted in panels (a) and (b) are integrated in the range of 6.5K4.5 and 0.5H0.5, respectively.

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  • Figure 7
    Figure 7

    Constant energy scans at (H, 2.8, 0) measured at E=7, 12, 20, 28, 38, and 45 meV at T=6 and 60 K. Solid lines are the results of fits with a Gaussian function. r.l.u. represents reciprocal lattice units. To emphasize the peak structure, the vertical scale of the 28 meV data is different from the others.

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  • Figure 8
    Figure 8

    DDMRG results of the dynamical structure factor S(q,E) with J1=24, J2=5.5meV for (a) Jac1=Jac2=0meV, (b) Jac1=2.29, Jac2=0meV, (c) Jac1=0, Jac2=2.29meV, and (d) Jac1=1.537, Jac2=0.763meV. The dotted lines denote the magnon dispersions ωq.

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  • Figure 9
    Figure 9

    Schematic spin configurations of (a) the ground state and (b)(c) excited states with q=2π/5. Parallel spins are connected by dotted lines and the numbers of the parallel spin pairs are different between panels (b) and (c). (d) Energy contributions by IC Jac1 and their weights in the excited states. q is in a unit of π.

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  • Figure 10
    Figure 10

    DDMRG results of the dynamical correlation functions S(q,E) at (a) q=0.15π, (b) 0.67π, and (c) 0.97π. Insets display the entire range of the intensity.

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  • Figure 11
    Figure 11

    The dynamic structure factor S(q,ω) for the J1J1J2 model. J=26.38, J2=5.5, δ=3, and D=1.5meV. Thin line: the twofold supercell with δ=0 (see analogous features in Fig. S1 of the Supplemental Material [7] for the case of a fivefold supercell).

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  • Figure 12
    Figure 12

    The inverse spin susceptibility for a magnetic field along the a (×), b (+), and c () axes of CYCO (from Ref. [50]). Dashed double-dotted line: fit by the 10th-order HTE Eq. (13); solid line: [5,5] Padé approximation. Short-dashed line: the exact CW asymptotic curve. Inset: Extended T range up to 1000 K.

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  • Figure 13
    Figure 13

    p and d orbitals and transfer integrals of a CuO2-cluster treated exactly within a planar Cu 3d O 2p five-band Hubbard model: Cu 3dxy 1 (left) and 6 (right); intermediate O 2px,y 2,3 (upper) 4,5 (lower). The chain is along the horizontal direction (x axis). For the sake of clarity the hopping tdd between two Cu sites along the x axis is not shown.

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  • Figure 14
    Figure 14

    Superexchange from the dd channel Jdd vs the direct intersite FM exchange Kdd for various direct Cu-Cu hoppings |tdd|, e.g., tdd=144(160)meV by LDA (QC) mapping (both ignored in Ref. [15]; for details, see Sec. C in the Supplemental Material [7]) (left) and adopted onsite Hubbard Ud values (right). Vertical dashed-dotted lines are the QC result for LICO.

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  • Figure 15
    Figure 15

    Lowest singlet and triplet energies of a Φ=90CuO2Cu cluster as in Fig. 13 vs the main FM exchanges for a set close to Ref. [15], where a O2CuO2CuO2 cluster was used. (tpxd=tpyd=0.7155, tdd=0, tpx=0.17, tpy=0.69, Vpd=Vdd=Jdd=0, Δpd=3.2, Epx=1.75, Epy=1.45, Ud=8.5, Up=4.1, Kpd=0.05, and JH=0.6; all in hole notation and in units of ttpd1eV) J=Kpd (upper plot for JH=0.6) and Jpp=JH at Kpd=0.05 (lower plot).

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  • Figure 16
    Figure 16

    The NN exchange J1=ETES from exact diagonalizations similarly to Eq. (19). The suppression of the intersite interaction between the “upper” and lower O for Up= (green curve) and tpypy=tpxpx=0 (red curve) as compared to the set described above (black curve). Dotted curve: including also the weak FM direct exchange Kpp (Kpypy=18.4, Kpxpy=13.4, and Kpxpx=8.7meV).

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