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arXiv:cond-mat/0009402 · Journal of Physics Condensed Matter

Symmetries and triplet dispersion in a modified Shastry-Sutherland model for SrCu2(BO3)2

Christian Knetter, Erwin Müller-Hartmann, Götz Silvester Uhrig, Erwin Müller-Hartmann

Published Oct 5, 2000• 15 citations
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Abstract

We investigate the one-triplet dispersion in a modified Shastry-Sutherland model for SrCu 2 (BO 3 ) 2 by means of a series expansion about the limit of strong dimerization. Our perturbative method is based on a continuous unitary transformation that maps the original Hamiltonian to an effective, energy-quanta-conserving block diagonal Hamiltonian eff . The dispersion splits into two branches which are nearly degenerate. We analyse the symmetries of the model and show that space group operations are necessary to explain the degeneracy of the dispersion at k = 0 and at the border of the magnetic Brillouin zone. Moreover, we investigate the behaviour of the dispersion for small | k | and compare our results to inelastic neutron scattering data.

DOI
10.1088/0953-8984/12/42/312

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We investigate the one-triplet dispersion in a modified Shastry-Sutherland model for SrCu 2 (BO 3 ) 2 by means of a series expansion about the limit of strong dimerization. Our perturbative method is based on a continuous unitary transformation that maps the original Hamiltonian to an effective, energy-quanta-conserving block diagonal Hamiltonian eff . The dispersion splits into two branches which are nearly degenerate. We analyse the symmetries of the model and show that space group operations are necessary to explain the degeneracy of the dispersion at k = 0 and at the border of the magnetic Brillouin zone. Moreover, we investigate the behaviour of the dispersion for small | k | and compare our results to inelastic neutron scattering data.
By using the perturbation expansion up to the fifth order, we study the two-triplet-dimer excitation spectra in the Shastry-Sutherland model, where the localized nature of a triplet-dimer, the propagation of a triplet-dimer pair by the correlated hopping and the long-range interactions between triplet-dimers play an essential role. It is found that the dispersion relations for first-neighbor triplet-dimer pair excitations with S=1 and p-type symmetry qualitatively explain the second-lowest branch observed in the neutron inelastic scattering experiment. It is also predicted that the second-lowest branch consists of two components, p_x- and p_y-states, with slightly different excitation energies. The origin of the singlet mode at 3.7meV observed in the Raman scattering experiment is also discussed.
Bound states made from two triplet excitations on the Shastry-Sutherland lattice are investigated. Based on the perturbative unitary transformation by flow equations quantitative properties like dispersions and qualitative properties like symmetries are determined. The high order results [up to (J2/J1)14({J}_{2}/{J}_{1}{)}^{14}(J2​/J1​)14] permit one to fix the parameters of SrCu2(BO3)2{\mathrm{SrCu}}_{2}({\mathrm{BO}}_{3}{)}_{2}SrCu2​(BO3​)2​ precisely: J1=6.16(10)meV{J}_{1}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}6.16(10)\mathrm{meV}J1​=6.16(10)meV, $x\ensuremath{\mathrel{:=}}{J}_{2}/{J}_{1}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.603(3)$, ${J}_{\ensuremath{\perp}}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1.3(2)\mathrm{meV}$. At the border of the magnetic Brillouin zone a general double degeneracy is derived. An unexpected instability in the triplet channel at x=0.63x\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.63x=0.63 indicates a transition towards another phase. The possible nature of this phase is discussed.
We study an extended Shastry-Sutherland model for SrCu2(BO3)2 and analyze the low lying parts of the energy spectrum by means of a perturbative unitary transformation based on flow equations.The derivation of the 1-magnon dispersion (elementary triplets) is discussed.Additionally, we give a quantitative description (symmetries and energies) of bound states made from two elementary triplets.Our high order results allow to fix the model parameters for SrCu2(BO3)2 precisely: J1 = 6.16(10)meV, x := J2/J1 = 0.603(3), J ⊥ = 1.3(2)meV.To our knowledge this is the first quantitative treatment of bound states in a true 2d model.
Magnetization plateaus in the Shastry-Sutherland model for SrCu2(BO3)2{\rm SrCu_2(BO_3)_2}SrCu2​(BO3​)2​ are studied by the perturbation expansion method. The fourth-order effective Hamiltonian which describes the dynamics of triplet dimers (TD's) with Sztot=1S^{\rm tot}_z=1Sztot​=1 in the singlet sea is derived and then partially diagonalized for the space that consists of the TD configurations with the lowest second-order energy. The fourth-order terms are treated within a low-density approximation. Our procedure makes clear how TD interactions are responsible for the formation of magnetization plateaus. Particularly, the 1/4-plateau is obtained by the fourth-neighbor TD repulsion in the fourth-order perturbation, and a diagonal stripe arrangement of TD's appears at this plateau.
We performed inelastic neutron scattering on the 2D Shastry-Sutherland system SrCu2(11BO3)2 with an exact dimer ground state. Three energy levels at around 3, 5, and 9 meV were observed at 1.7 K. The lowest excitation at 3.0 meV is almost dispersionless with a bandwidth of 0.2 meV at most, showing a significant constraint on a single-triplet hopping owing to the orthogonality of the neighboring dimers. In contrast, the correlated two-triplet excitations at 5 meV exhibit a more dispersive behavior.
We study an extended Shastry–Sutherland model for SrCu2(BO3)2 and analyze the low-lying parts of the energy spectrum by means of a perturbative unitary transformation based on flow equations. The derivation of the one-magnon dispersion (elementary triplets) is discussed. Additionally, we give a quantitative description (symmetries and energies) of bound states made from two elementary triplets. Our high-order results allow us to fix the model parameters for SrCu2(BO3)2 precisely: J1 = 6.16(10) meV, x := J2/J1 = 0.603(3), J[Formula: see text] =1.3(2) meV. To our knowledge this is the first quantitative treatment of bound states in a true 2D model. PACS Nos.: 75.40Gb, 75.30Kz, 75.50Ee, 75.10Jm