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Physical Review Letters

2pF and 4pF Instabilities in the One-Dimensional Electron Gas

J. E. Hirsch, Douglas J. Scalapino

Published Apr 11, 1983• 50 citations
Publisher

Abstract

Charge- and spin-density response functions in the one-dimensional \textonequarter{}-filled extended Hubbard model have been studied by use of a Monte Carlo technique. The results show that Coulomb interactions suppress the $2{p}_{\mathrm{F}}$ charge-density singularity, while they enhance the $2{p}_{\mathrm{F}}$ spin-density singularity. The $4{p}_{\mathrm{F}}$ response is only appreciable if, in addition to on-site repulsion, longer-range interactions exist. The present results are compared with weak-coupling renormalization-group predictions.

DOI
10.1103/physrevlett.50.1168

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Communications in Theoretical Physics•Jan 15, 2003•3 citations
Charge- and spin-density response functions in the one-dimensional \textonequarter{}-filled extended Hubbard model have been studied by use of a Monte Carlo technique. The results show that Coulomb interactions suppress the 2pF2{p}_{\mathrm{F}}2pF​ charge-density singularity, while they enhance the 2pF2{p}_{\mathrm{F}}2pF​ spin-density singularity. The 4pF4{p}_{\mathrm{F}}4pF​ response is only appreciable if, in addition to on-site repulsion, longer-range interactions exist. The present results are compared with weak-coupling renormalization-group predictions.
The zero-frequency wave-vector-dependent charge- and spin-density susceptibilities for a quarter-filled-band extended Hubbard model are calculated with the use of a Monte Carlo technique. Results for a variety of different temperatures are given. Coulomb interactions are found to suppress the 2pF2{p}_{F}2pF​ charge-density response and enhance the 2pF2{p}_{F}2pF​ spin-density response. While a strictly on-site Coulomb interaction gives rise to only a weak 4pF4{p}_{F}4pF​ structure in the charge-density response, longer-range Coulomb interactions such as the near-neighbor interaction VVV in the extended Hubbard model can produce a singularity at 4pF4{p}_{F}4pF​. In addition to these susceptibilities, both the charge and spin structure factors are calculated, as well as two-particle, two-hole correlation functions. We also show some results for the ground-state energy, magnetic susceptibility, and specific heat of the Hubbard model. The relationship of the results obtained from our Monte Carlo simulations to various limiting exact results as well as to the well-known weak coupling renormalization-group predictions are discussed.
We continue our study of correlation functions in the one-dimensional Hubbard model with the use of a Monte Carlo technique. This paper focuses on the behavior of two different particle-hole susceptibilities: the on-site charge-density response function and the nearest-neighbor charge-transfer response function. Although their behavior is predicted to be similar within weak-coupling renormalization-group theory, we find different behavior with our nonperturbative technique. In particular, the charge-transfer susceptibility shows structure at 2pF2{p}_{F}2pF​ for large Coulomb interactions due to spin-Peierls fluctuations, which is absent in the on-site charge-density response. We also study the effect of varying band filling, by comparing results for the 14\frac{1}{4}41​- filled band ($\ensuremath{\rho}=0.5$) case and the cases $\ensuremath{\rho}=0.61$ and $\ensuremath{\rho}=1$. We find, for example, that it is possible to have structure in the response function at wave vectors that are not simply related to the Fermi wave vector. We discuss the implications of our results to the interpretation of experimental results in various quasi-one-dimensional charge-transfer compounds.
We extend previous calculations of the 2kF2{k}_{F}2kF​ and 4kF4{k}_{F}4kF​ (${k}_{F}\ensuremath{\equiv}\mathrm{Fermi}\mathrm{wave}\mathrm{vector}$) spin- and charge-density autocorrelation functions of the one-dimensional Hubbard model by including the nearest-neighbor Coulomb interaction VVV. The results are computed for finite chains containing up to eight sites using a computer renormalization-group technique previously developed by us. We find, inter alia, that the real part of the 4kF4{k}_{F}4kF​ charge-density wave (CDW), which is comparable to the real part of the 2kF2{k}_{F}2kF​ CDW when only large onsite Coulomb repulsion is considered, becomes greatly enhanced relative to the 2kF2{k}_{F}2kF​ CDW when VVV is positive. This finding implies that the VVV interaction is important in explaining the 4kF4{k}_{F}4kF​ instability of some quasi-one-dimensional materials.
The extended Hubbard model in one dimension is studied for half-filled bands using a continuum theory based on the Luttinger model. Interactions going beyond the Luttinger model are treated with a renormalization group. We compute correlation functions and use these to establish the phase diagram of the model. It compares favorably with earlier numerical work. Specifically, we identify additional interaction terms coupling charge and spin degrees of freedom; one of them is shown to mediate the crossover from a continuous to a first-order transition from spin- to charge-density waves at a finite value of U=2V. Our approach suggests viewing the model on this line as two weakly coupled interpenetrating systems of up-spin and down-spin electrons with strong backscattering interactions favoring charge-density waves separately in each of the subsystems. A first-order transition occurring for attractive interactions is interpreted as a characteristic instability of the Luttinger liquid towards phase separation. We finally discuss a possible equivalence to some recent studies of coupled two-dimensional XY models.
We calculate 2kF2{k}_{F}2kF​ and 4kF4{k}_{F}4kF​ charge-density wave (CDW) and spin-density wave (SDW) autocorrelation functions for the one-dimensional Hubbard model using a computer renormalization-group technique previously developed by us. We describe the method and expected accuracy of the results. The correlation functions are calculated for Hubbard parameter Ut=2,10,50\frac{U}{t}=2,10,50tU​=2,10,50 and for two different band fillings. We obtain, describe, and compare for the first time the magnitudes and temperature dependences of the correlation functions. We find, inter alia, that the 4kF4{k}_{F}4kF​ instability arises at very large UUU and that the 2kF2{k}_{F}2kF​ SDW and 4kF4{k}_{F}4kF​ CDW dominate at large UUU.