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arXiv:cond-mat/0006079

Spectral function of transverse spin fluctuations in an antiferromagnet

Avinash Kumar Singh

Published Jun 6, 2000• 0 citations
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Abstract

The spectral function of transverse spin fluctuations, including the contributions from both the single-particle and the collective (magnon) excitations in an antiferromagnet, is evaluated for the Hubbard model with NN and NNN hoppings in the full U-range from weak coupling to strong coupling. For the NN hopping model, the magnon excitations are dominant for U > 2.5 (d=2), so that an effective spin description of the AF state holds down to a surprisingly low U value. In the weak coupling limit the spectral function is suppressed at low energies, as if due to an effective gap. NNN hopping t' leads to magnon softening and also a significant increase in the low-energy spectral function due to single-particle excitations. Evolution of the magnon spectrum with t' is studied in the strong coupling limit, and the quantum spin- fluctuation correction to sublattice magnetization in d=2 and the Neel temperature in d=3 are also evaluated.

DOI
10.48550/arxiv.cond-mat/0006079

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The spectral function of transverse spin fluctuations, including the contributions from both the single-particle and the collective (magnon) excitations in an antiferromagnet, is evaluated for the Hubbard model with NN and NNN hoppings in the full U-range from weak coupling to strong coupling. For the NN hopping model, the magnon excitations are dominant for U > 2.5 (d=2), so that an effective spin description of the AF state holds down to a surprisingly low U value. In the weak coupling limit the spectral function is suppressed at low energies, as if due to an effective gap. NNN hopping t' leads to magnon softening and also a significant increase in the low-energy spectral function due to single-particle excitations. Evolution of the magnon spectrum with t' is studied in the strong coupling limit, and the quantum spin- fluctuation correction to sublattice magnetization in d=2 and the Neel temperature in d=3 are also evaluated.
Results for the single-particle Green's function for the strong-coupling limit of the single-band Hubbard model ($t\ensuremath{-}J$ model) obtained by numerical and analytical methods are discussed. The numerical calculation of the spectral function is performed for small systems of up to 18 sites using the Lanczos method. A detailed analysis of the spectral functions for the $t\ensuremath{-}J$ model in one and two dimensions is given. We also investigate the effect of the next-nearest-neighbor hopping terms, which appear in order t2U\frac{{t}^{2}}{U}Ut2​ and are omitted in the standard $t\ensuremath{-}J$ model. The role of quantum fluctuations on the shape of the spectra and the fundamental difference between one and two dimensions is elucidated. In 2D we find evidence for a coherent quasiparticle band of width 2J2J2J with dispersion $^{\ensuremath{\omega}}\mathrm{k}\ensuremath{\sim}(\frac{J}{2}){(cos{k}_{x}+cos{k}_{y})}^{2}$ and spin S=12S=\frac{1}{2}S=21​, which emerges at the low-energy edge of the incoherent spectrum. This form of dispersion is due to effective next-nearest-neighbor processes related to spin flips and agrees with our extension of the approach of Brinkman and Rice to finite JJJ.
Single-particle dynamics in the 120\ifmmode^\circ\else\textdegree\fi{} ordered antiferromagnetic state of the triangular-lattice Hubbard model is studied using a physically transparent fluctuation approach in terms of multiple magnon emission and absorption processes within the noncrossing approximation. Hole and electron spectral features are evaluated at intermediate UUU, and analyzed in terms of a competition between the frustration-induced direct hopping and the virtual hopping. Finite UUU-induced competing interactions and frustration effects contributing through the magnon dispersion are also discussed. Finite contribution to self-energy correction from long-wavelength (Goldstone) modes, together with the high density of electron scattering states in the narrow, sharp peak in the upper band, result in strong fermion-magnon scattering leading to pronounced incoherent behavior in the electron dynamics. The fluctuation-induced first-order metal-insulator transition due to vanishing band gap is also discussed.
Self-energy corrections due to to fermion-magnon interaction are studied in the antiferromagnetic state of the $t\ensuremath{-}{t}^{\ensuremath{'}}\ensuremath{-}{t}^{\ensuremath{''}}$ Hubbard model within the noncrossing approximation in the full UUU range from weak to strong coupling. The role of classical (mean-field) features of fermion and magnon dispersion, associated with finite $U,{t}^{\ensuremath{'}},{t}^{\ensuremath{''}}$, are examined on quantum corrections to quasiparticle energy, weight, one-particle density of states, etc. A finite-UUU induced classical dispersion term, absent in the $t\ensuremath{-}J$ model, is found to play an important role in suppressing the quasiparticle weight for states near k=(0,0)\mathbf{k}=(0,0)k=(0,0), as seen in cuprates. For intermediate UUU, the renormalized antiferromagnetic (AF) band gap is found to be nearly half of the classical value, and the weak-coupling limit is quite nontrivial due to strongly suppressed magnon amplitude. For finite ${t}^{\ensuremath{'}}$, the renormalized AF band gap is shown to vanish at a critical interaction strength Uc{U}_{c}Uc​, yielding a spin fluctuation driven first-order AF insulator--paramagnetic metal transition. Quasiparticle dispersion evaluated with the same set of Hubbard model cuprate parameters, as obtained from a recent magnon spectrum fit, provides excellent agreement with angle-resolved photoemission spectroscopy data for Sr2CuO2Cl2{\mathrm{Sr}}_{2}\mathrm{Cu}{\mathrm{O}}_{2}{\mathrm{Cl}}_{2}Sr2​CuO2​Cl2​.
We investigate the quantum dynamics of the spins on different Heisenberg antiferromagnetic spin lattice systems. Firstly, we applied the coupled-cluster method to the spin-1/2 antiferromagnetic \emph{XXZ} model on a square lattice by employing an approximation which contains two-body long-range correlations and high-order four-body local correlations. Improvement is found for the ground-state energy, sublattice magnetization, and the critical anisotropy when comparing with the approximation including the two-body correlations alone. We also obtain the full excitation spectrum which is in good agreement with the quantum Monte Carlo results and the high-order spin-wave theory.Secondly, we study the longitudinal excitations of quantum antiferromagnets on a triangular lattice by a recently proposed microscopic many-body approach based on magnon-density waves. We calculate the full longitudinal excitation spectra of the antiferromagnetic Heisenberg model for a general spin quantum number in the isotropic limit. Similar to the square lattice model, we find that, at the center of the first hexagonal Brillouin zone Γ(q=0)\Gamma(\mathbf q=0)Γ(q=0) and at the magnetic ordering wavevectors ±[Q=(4π/3,0)]\pm[\mathbf Q= (4\pi/3,0)]±[Q=(4π/3,0)], the excitation spectra become gapless in the thermodynamic limit, due to the slow, logarithmic divergence of the structure factor. However, these longitudinal modes on two-dimensional models may be considered as quasi-gapped, as any finite-size effect or small anisotropy will induce a large energy gap, when compared with the counterpart of the transverse spin-wave excitations. We have also investigated the excited states of the quasi-one-dimensional quantum antiferromagnets on hexagonal lattices, including the longitudinal modes based on the magnon-density waves. A model Hamiltonian with a uniaxial single-ion anisotropy is first studied by a spin-wave theory based on the one-boson method; the ground state thus obtained is employed for the study of the longitudinal modes. The full energy spectra of both the transverse modes (i.e., magnons) and the longitudinal modes are obtained as functions of the nearest-neighbor coupling and the anisotropy constants. We have found two longitudinal modes due to the non-collinear nature of the triangular antiferromagnetic order, similar to that of the phenomenological field theory approach by Affleck. The excitation energy gaps due to the anisotropy and the energy gaps of the longitudinal modes without anisotropy are then investigated. We then compares our results for the longitudinal energy gaps at the magnetic wavevectors with the experimental results for several antiferromagnetic compounds with both integer and non-integer spin quantum numbers, and we find good agreements after the higher-order contributions are included in our calculations.
Starting from the Hubbard model in the weak-coupling limit, we derive a spin-fermion model where the collective spin excitations are described by a nonlinear sigma model. This result is used to compute the fermion spectral function $A(\mathbf{k},\ensuremath{\omega})$ in the low-temperature regime where the antiferromagnetic (AF) coherence length is exponentially large (``renormalized classical'' regime). At the Fermi level, $A({\mathbf{k}}_{F},\ensuremath{\omega})$ exhibits two peaks around $\ifmmode\pm\else\textpm\fi{}{\ensuremath{\Delta}}_{0}$ (with ${\ensuremath{\Delta}}_{0}$ the mean-field gap), which are precursors of the zero-temperature AF bands, separated by a pseudogap.
We present an approach to the magnetic properties of the half-filled Hubbard model, based on an approximate mapping of its low-energy transverse spin excitations on to those of an effective underlying Heisenberg model, but with effective spin interactions which are self-consistently determined and not confined solely to nearest-neighbor couplings. The mapping is exact in strong-coupling and is found to be accurate over a very wide range of interaction strengths, down to weak coupling. At zero temperature, it permits ready evaluation at finite U of the one-loop effects of zero-point spin fluctuations on, e.g., the sublattice magnetization. At finite temperatures, thermodynamic properties of the system in the thermal paramagnet are studied via a physically transparent Onsager reaction field approach, which amounts to a self-consistent treatment of paramagnetic spin correlations. This is central not only in recovering the correct dimensionality dependence of antiferromagnetic long-ranged order, but also for the d=3 case of primary interest here yields a N\'eel temperature in close agreement with known strong- and weak-coupling limits. Spin correlation functions and magnetic susceptibilities also show very good agreement with quantum Monte Carlo calculations over an appreciable temperature range in which the low-lying transverse spin excitations are thermally dominant. \textcopyright{} 1996 The American Physical Society.