Physical review. B, Condensed matter

Elementary-spin-excitation spectrum of undoped and doped single-band Hubbard models

Yoshihiro Asai

Published Apr 1, 1994• 3 citations

Abstract

We have calculated the elementary-spin-excitation spectrum of undoped and doped Hubbard models in one and two dimensions. We have obtained the gap of the spectrum at Q=(\ensuremath{\pi},\ensuremath{\pi}) in the doped strong-coupling Hubbard model by a Lanczos diagonalization study of the \ensuremath{\surd}10 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}10 site cluster. The result is qualitatively in agreement with the experimental observation of the ``spin gap'' by Rossat-Mignod et al. We conclude that the ``spin gap'' can be accounted for with the doped strong-coupling Hubbard model without any symmetry reductions and is one of the intrinsic properties of the Hubbard model.

DOI: 10.1103/physrevb.49.10013

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Spin susceptibilities for the Hubbard model in a band approach

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Excitations and response functions of the doped two-dimensional Hubbard model: A random-phase-approximation anaylsis

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Physical review. B, Condensed matter

Elementary-spin-excitation spectrum of undoped and doped single-band Hubbard models

Yoshihiro Asai

Published Apr 1, 1994• 3 citations

Publisher

Abstract

We have calculated the elementary-spin-excitation spectrum of undoped and doped Hubbard models in one and two dimensions. We have obtained the gap of the spectrum at Q=(\ensuremath{\pi},\ensuremath{\pi}) in the doped strong-coupling Hubbard model by a Lanczos diagonalization study of the \ensuremath{\surd}10 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}10 site cluster. The result is qualitatively in agreement with the experimental observation of the spin gap'' by Rossat-Mignod et al. We conclude that the spin gap'' can be accounted for with the doped strong-coupling Hubbard model without any symmetry reductions and is one of the intrinsic properties of the Hubbard model.

DOI: 10.1103/physrevb.49.10013

Related papers

Spin susceptibilities for the Hubbard model in a band approach

Alexander A. Ovchinnikov, M. Ya. Ovchinnikova

The properties of spin excitations superposed on a uniform ground state with antiferromagnetic (or spiral) spin structure are studied in a 2 D Hubbard model. Expressions are derived for the spin susceptibility in the random phase approximation (RPA) using split Hubbard bands as a zeroth approximation. The calculated collective modes with dispersion ω ( Q )= c | Q −(π, π)| near Q ∼(π, π) reproduce well the characteristics of the spin excitations observed in undoped cuprates. For doped systems with an antiferromagnetic structure of the ground state, calculating X ″( Q,ω →0) gives the same mode with a peak at Q ∼(π, π), regardless of the type of Fermi surface. It is shown that in doped systems with a spiral ground state spin structure, X ″( Q,ω →0) peaks occur with incommensurate quasimomenta Q that are coupled to the spirality vector.The properties of spin excitations superposed on a uniform ground state with antiferromagnetic (or spiral) spin structure are studied in a 2 D Hubbard model. Expressions are derived for the spin susceptibility in the random phase approximation (RPA) using split Hubbard bands as a zeroth approximation. The calculated collective modes with dispersion ω ( Q )= c | Q −(π, π)| near Q ∼(π, π) reproduce well the characteristics of the spin excitations observed in undoped cuprates. For doped systems with an antiferromagnetic structure of the ground state, calculating X ″( Q,ω →0) gives the same mode with a peak at Q ∼(π, π), regardless of the type of Fermi surface. It is shown that in doped systems with a spiral ground state spin structure, X ″( Q,ω →0) peaks occur with incommensurate quasimomenta Q that are coupled to the spirality vector.

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Excitations and response functions of the doped two-dimensional Hubbard model: A random-phase-approximation anaylsis

F. Guinea, Enrique Louis, José Antonio Vergés

We calculate the excitation spectrum and the response functions of the textures induced by doping in the half-filled Hubbard model. Localized states appear within the antiferromagnetic gap. The spin-wave spectrum is distorted, and shifted towards lower energies; its total strength is reduced. The antiferromagnetic peak at (\ensuremath{\pi},\ensuremath{\pi}) is broadened and moves to higher energies. Charge excitations appear at low energies and mix with the spin waves. Their polarization induces screened interactions that can overcome the initial, repulsive, ones. The general features of the results cannot be described in conventional-Fermi-liquid or, alternatively, insulator terms.We calculate the excitation spectrum and the response functions of the textures induced by doping in the half-filled Hubbard model. Localized states appear within the antiferromagnetic gap. The spin-wave spectrum is distorted, and shifted towards lower energies; its total strength is reduced. The antiferromagnetic peak at (\ensuremath{\pi},\ensuremath{\pi}) is broadened and moves to higher energies. Charge excitations appear at low energies and mix with the spin waves. Their polarization induces screened interactions that can overcome the initial, repulsive, ones. The general features of the results cannot be described in conventional-Fermi-liquid or, alternatively, insulator terms.

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Dynamical Propertiesof the One-Dimensional Hubbard Model–A Numerical Study–

Hiromi Otsuka

We investigate the dynamical properties of the one-dimensional Hubbard model using the quantum Monte Carlo method and the numerical analytic continuation method based on the maximum entropy principle. Results for the spin, charge and current excitation spectrum are presented for various values of the coupling and the band filling for the system of 24 sites with the periodic boundary condition. We find that the total spectral density of the spin excitation exhibits a gapless structure irrespective of the coupling or the band filling. The charge excitation spectrum, on the other hand, clearly shows the gap formation at the half filled band and shifts its weight toward the higher energy region with increase of the coupling. This charge excitation gap, however, disappears with the hole doping. We also discuss the momentum dependence of the spectral functions.We investigate the dynamical properties of the one-dimensional Hubbard model using the quantum Monte Carlo method and the numerical analytic continuation method based on the maximum entropy principle. Results for the spin, charge and current excitation spectrum are presented for various values of the coupling and the band filling for the system of 24 sites with the periodic boundary condition. We find that the total spectral density of the spin excitation exhibits a gapless structure irrespective of the coupling or the band filling. The charge excitation spectrum, on the other hand, clearly shows the gap formation at the half filled band and shifts its weight toward the higher energy region with increase of the coupling. This charge excitation gap, however, disappears with the hole doping. We also discuss the momentum dependence of the spectral functions.

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Spectral properties of the Hubbard bands

Henk J. Eskes, Andrzej M. Oleś, Marcel B. J. Meinders +1 more

Using strong-coupling perturbation theory for the Hubbard model, explicit expressions are obtained for the integrated weights, energy positions, and widths of the upper and lower Hubbard bands separately, both for the optical and photoemission spectrum. In one dimension all expressions can be explicitly evaluated using the large-U Bethe-ansatz wave function. The k\ensuremath{\rightarrow}-dependent moments for the one-particle spectrum are compared with the closely related two-pole ansatz. The strong momentum dependence of the spectra demonstrates the importance of the k\ensuremath{\rightarrow}-dependent correlation functions in the spectral moments, which are often neglected. In order to estimate corrections due to the neglect of higher-order terms (in t/U), all results are compared with numerical-diagonalization data for intermediate-U values. The sum-rule results show a rapid spectral-weight transfer from the high- to the low-energy regime upon doping, similar to what is observed experimentally in one-particle and optical spectra of Cu (high- ${\mathit{T}}_{\mathit{c}}$ ) and Ni compounds. Such fast weight redistributions as a function of the carrier density are a natural consequence of the strong correlations in these materials. The redistribution of intensity in the optical conductivity is connected with the dilution of the spin system by the added holes. For the one-particle spectrum the decrease of weight in the upper Hubbard band away from half filling can be understood by state counting at U=\ensuremath{\infty}, and the effect is strongly enhanced for small doping by both the first- and second-order terms in t/U. Altogether, the one-particle and optical spectra show the importance of the three-site hopping term. Therefore the t-J model does not represent well the spectral properties of the Hubbard model at large U. The local spin order is essential and determines both the k\ensuremath{\rightarrow} dependence of the one-particle spectrum and the intensities in the optical spectrum.Using strong-coupling perturbation theory for the Hubbard model, explicit expressions are obtained for the integrated weights, energy positions, and widths of the upper and lower Hubbard bands separately, both for the optical and photoemission spectrum. In one dimension all expressions can be explicitly evaluated using the large-U Bethe-ansatz wave function. The k\ensuremath{\rightarrow}-dependent moments for the one-particle spectrum are compared with the closely related two-pole ansatz. The strong momentum dependence of the spectra demonstrates the importance of the k\ensuremath{\rightarrow}-dependent correlation functions in the spectral moments, which are often neglected. In order to estimate corrections due to the neglect of higher-order terms (in t/U), all results are compared with numerical-diagonalization data for intermediate-U values. The sum-rule results show a rapid spectral-weight transfer from the high- to the low-energy regime upon doping, similar to what is observed experimentally in one-particle and optical spectra of Cu (high-${\mathit{T}}_{\mathit{c}}$) and Ni compounds. Such fast weight redistributions as a function of the carrier density are a natural consequence of the strong correlations in these materials. The redistribution of intensity in the optical conductivity is connected with the dilution of the spin system by the added holes. For the one-particle spectrum the decrease of weight in the upper Hubbard band away from half filling can be understood by state counting at U=\ensuremath{\infty}, and the effect is strongly enhanced for small doping by both the first- and second-order terms in t/U. Altogether, the one-particle and optical spectra show the importance of the three-site hopping term. Therefore the t-J model does not represent well the spectral properties of the Hubbard model at large U. The local spin order is essential and determines both the k\ensuremath{\rightarrow} dependence of the one-particle spectrum and the intensities in the optical spectrum.

Physical review. B, Condensed matterDec 15, 1994158 citations

Spectral function of holes in the Emery model

Patrick Unger, Peter Fulde

We calculate the single-particle excitation spectrum of holes in the Emery model thereby extending and improving previous calculations. The system is considered at half filling ( ${\mathit{n}}_{\mathit{h}}$ =1, one hole per ${\mathrm{CuO}}_{2}$ unit) and for hole doping, where the on-site hole-hole repulsions are kept finite. A paramagnetic form of the ground state is used. For the determination of the retarded Green's functions of copper and oxygen holes, the projection technique is applied solving the resulting equations of motions self-consistently. At half filling, the excitation spectrum exhibits a charge-transfer gap bounded by Zhang-Rice singlet states and the upper Hubbard band. Upon hole doping the flat singlet band crosses the Fermi level giving rise to a large Fermi surface at a hole concentration of ${\mathit{n}}_{\mathit{h}}$ =1.25. Moreover, spectral weight is shifted from the upper Hubbard band to the states near the Fermi energy. The calculated spectral densities, the singlet dispersion for the doped system, and the transfer of spectral weight are in good quantitative agreement with exact diagonalization results for 2\ifmmode\times\else\texttimes\fi{}2 ${\mathrm{CuO}}_{2}$ cluster.We calculate the single-particle excitation spectrum of holes in the Emery model thereby extending and improving previous calculations. The system is considered at half filling (${\mathit{n}}_{\mathit{h}}$=1, one hole per ${\mathrm{CuO}}_{2}$ unit) and for hole doping, where the on-site hole-hole repulsions are kept finite. A paramagnetic form of the ground state is used. For the determination of the retarded Green's functions of copper and oxygen holes, the projection technique is applied solving the resulting equations of motions self-consistently. At half filling, the excitation spectrum exhibits a charge-transfer gap bounded by Zhang-Rice singlet states and the upper Hubbard band. Upon hole doping the flat singlet band crosses the Fermi level giving rise to a large Fermi surface at a hole concentration of ${\mathit{n}}_{\mathit{h}}$=1.25. Moreover, spectral weight is shifted from the upper Hubbard band to the states near the Fermi energy. The calculated spectral densities, the singlet dispersion for the doped system, and the transfer of spectral weight are in good quantitative agreement with exact diagonalization results for 2\ifmmode\times\else\texttimes\fi{}2 ${\mathrm{CuO}}_{2}$ cluster.

Physical review. B, Condensed matterDec 1, 199349 citations

Excitation spectrum of the one-dimensional Hubbard model

Cornelius F. Coll

We have extended calculations of the zero-temperature excitation spectrum of the one-dimensional Hubbard model to the case where the number of electrons is less than the number of sites in the chain. The results are computed as a function of the ratio $\frac{U}{t}$ , where $U$ represents the on-site Coulomb repulsion and $t$ is the transfer integral, assumed to be nonzero only for nearest neighbors. Exact calculations are made for the energy and momentum of excitations having single-particle character. Unlike the situation for the half-filled band, we find no gap in the excitation spectrum. We have also considered excitations of the spin-wave type. These are shown to vary linearly with momentum for small momentum. The group velocity for small momentum is found to be inversely proportional to the magnetic susceptibility.We have extended calculations of the zero-temperature excitation spectrum of the one-dimensional Hubbard model to the case where the number of electrons is less than the number of sites in the chain. The results are computed as a function of the ratio $\frac{U}{t}$, where $U$ represents the on-site Coulomb repulsion and $t$ is the transfer integral, assumed to be nonzero only for nearest neighbors. Exact calculations are made for the energy and momentum of excitations having single-particle character. Unlike the situation for the half-filled band, we find no gap in the excitation spectrum. We have also considered excitations of the spin-wave type. These are shown to vary linearly with momentum for small momentum. The group velocity for small momentum is found to be inversely proportional to the magnetic susceptibility.

Physical review. B, Solid stateMar 1, 1974166 citations

{\mathit{T}}_{\mathit{c}}

) and Ni compounds. Such fast weight redistributions as a function of the carrier density are a natural consequence of the strong correlations in these materials. The redistribution of intensity in the optical conductivity is connected with the dilution of the spin system by the added holes. For the one-particle spectrum the decrease of weight in the upper Hubbard band away from half filling can be understood by state counting at U=\ensuremath{\infty}, and the effect is strongly enhanced for small doping by both the first- and second-order terms in t/U. Altogether, the one-particle and optical spectra show the importance of the three-site hopping term. Therefore the t-J model does not represent well the spectral properties of the Hubbard model at large U. The local spin order is essential and determines both the k\ensuremath{\rightarrow} dependence of the one-particle spectrum and the intensities in the optical spectrum.

We calculate the single-particle excitation spectrum of holes in the Emery model thereby extending and improving previous calculations. The system is considered at half filling (

{\mathit{n}}_{\mathit{h}}

=1, one hole per

{\mathrm{CuO}}_{2}

unit) and for hole doping, where the on-site hole-hole repulsions are kept finite. A paramagnetic form of the ground state is used. For the determination of the retarded Green's functions of copper and oxygen holes, the projection technique is applied solving the resulting equations of motions self-consistently. At half filling, the excitation spectrum exhibits a charge-transfer gap bounded by Zhang-Rice singlet states and the upper Hubbard band. Upon hole doping the flat singlet band crosses the Fermi level giving rise to a large Fermi surface at a hole concentration of

{\mathit{n}}_{\mathit{h}}

=1.25. Moreover, spectral weight is shifted from the upper Hubbard band to the states near the Fermi energy. The calculated spectral densities, the singlet dispersion for the doped system, and the transfer of spectral weight are in good quantitative agreement with exact diagonalization results for 2\ifmmode\times\else\texttimes\fi{}2

{\mathrm{CuO}}_{2}

cluster.

\frac{U}{t}

, where

U

represents the on-site Coulomb repulsion and

t

is the transfer integral, assumed to be nonzero only for nearest neighbors. Exact calculations are made for the energy and momentum of excitations having single-particle character. Unlike the situation for the half-filled band, we find no gap in the excitation spectrum. We have also considered excitations of the spin-wave type. These are shown to vary linearly with momentum for small momentum. The group velocity for small momentum is found to be inversely proportional to the magnetic susceptibility.