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The Hubbard chain at finite temperatures: ab initio calculations of Tomonaga-Luttinger liquid properties

Guido Jüttner, Andreas Klümper, Junji Suzuki, Universität Zu Köln

Published Jan 1, 1997• 36 citations
OpenAlex

Abstract

We present a novel treatment of finite temperature properties of the onedimensional Hubbard model. Our approach is based on a Trotter-Suzuki mapping utilizing Shastry’s classical model and a subsequent investigation of the quantum transfer matrix. We derive non-linear integral equations for three auxiliary functions which have a clear physical interpretation of elementary excitations of spin type and charge excitations in lower and upper Hubbard bands. This allows for a transparent analytical study of certain limiting cases as well as for precise numerical investigations. We present data for the specific heat, magnetic and charge susceptibilities for various particle densities and coupling strengths U. The structure exposed by these curves is discussed in terms of the elementary charge and spin excitations. Special emphasis is placed on the study of the low-temperature behavior within our ab initio approach confirming the scaling predictions by Tomonaga-Luttinger liquid theory. In addition we make contact with the “dressed energy ” formalism established for the analysis of ground state properties.

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The Hubbard chain at finite temperatures: ab initio calculations of Tomonaga-Luttinger liquid properties

G. Jüttner, A. Klümper, J. Suzuki

arXiv:cond-mat/9711310•Nuclear Physics B•Jul 1, 1998•90 citations
We present a novel treatment of finite temperature properties of the onedimensional Hubbard model. Our approach is based on a Trotter-Suzuki mapping utilizing Shastry’s classical model and a subsequent investigation of the quantum transfer matrix. We derive non-linear integral equations for three auxiliary functions which have a clear physical interpretation of elementary excitations of spin type and charge excitations in lower and upper Hubbard bands. This allows for a transparent analytical study of certain limiting cases as well as for precise numerical investigations. We present data for the specific heat, magnetic and charge susceptibilities for various particle densities and coupling strengths U. The structure exposed by these curves is discussed in terms of the elementary charge and spin excitations. Special emphasis is placed on the study of the low-temperature behavior within our ab initio approach confirming the scaling predictions by Tomonaga-Luttinger liquid theory. In addition we make contact with the “dressed energy ” formalism established for the analysis of ground state properties.
A Trotter-Suzuki mapping is used to calculate the finite-temperature properties of the one-dimensional supersymmetric t − J model. This approach allows for the exact calculation of various thermodynamical properties by means of the quantum transfer matrix (QTM). The free energy and other interesting quantities are obtained such as the specific heat and compressibility. For the largest eigenvalue of the QTM leading to the free energy a set of just two non-linear integral equations is presented. These equations are studied analytically and numerically for different particle densities and temperatures. The structure of the specific heat is discussed in terms of the elementary charge as well as spin excitations. Special emphasis is placed on the study of the low-temperature behavior confirming scaling predictions by conformal field theory and Luttinger liquid theory. To our knowledge this is the first complete investigation of a strongly correlated electron system on a lattice at finite temperature.
The specific heat and the compressibility for the integrable t – J model are calculated showing Luttinger liquid behavior for low temperatures. A Trotter-Suzuki mapping and the quantum transfer matrix approach are utilized. Using an algebraic Bethe ansatz, this method permits the exact calculation of the free energy and related quantities. A set of just two non-linear integral equations determining these quantities is studied for various particle densities and temperatures. The structure of the specific heat is discussed in terms of the elementary charge as well as spin excitations.
Since the advent of high-TcT_cTc​ cuprate superconductors in 1986, strongly correlated electron systems have attracted much attention. Since the cuprates are essentially two-dimensional, low-dimensional systems have moved into the focus of condensed-matter theory. From a theoretical point of view, one-dimensional systems are of particular interest because there are exact numerical and analytical methods which permit detailed studies and deep insights into the many-body problem. In the first part of this thesis, using the numerically exact methods Exact Diagonalization and the Density-Matrix Renormalization Group (DMRG), we investigate the properties of the Tomonaga–Luttinger liquid which is the generic metallic state of matter in one dimension. In particular, we concentrate on the investigation of the so-called Tomonaga–Luttinger liquid parameter which determines the critical exponent α\alphaα for the density of states near the Fermi energy. Experimental results for some quasi one-dimensional materials report α≳1\alpha \gtrsim 1α≳1, which would imply Kρ≲0.17K_\rho \lesssim 0.17Kρ​≲0.17, a value which cannot be reconciled with the bare Hubbard model where KρH≥0.5K_\rho^H \geq 0.5KρH​≥0.5, i.e., αH≲1/8\alpha^H \lesssim 1/8αH≲1/8. We develop new accurate numerical methods to obtain KρK_\rhoKρ​ and investigate how to obtain such small values for KρK_\rhoKρ​ for slightly doped charge-density-wave insulators. In the second part of this thesis, using the Thermodynamic Bethe Ansatz (TBA) as exact analytical method, we investigate the one-dimensional Hubbard model in the spindisordered regime, which is characterized by the temperature being much larger than the magnetic energy scale but small compared to the Mott–Hubbard gap. Our study is motivated by the controversy about the Mott–Hubbard insulator in infinite dimensions whose ground state is also spin-disordered. In this system the determination of the precise value of the critical interaction strength Uc where the Mott–Hubbard gap closes is still unsolved. Therefore, we provide an example of a Hubbard-type model with a disordered spin background which can be solved exactly. The thermodynamics of our model can be understood in terms of gapped charged excitations with an effective dispersion which are decoupled form the spin degrees of freedom; the latter contribute only entropically. An interpretation of this regime in terms of a putative interacting-electron system at zero temperature leads to a metal-insulator transition at a finite interaction strength above which the gap opens linearly. Our exact results indicate that the strong-coupling expansion of the ground-state energy cannot be used to locate UcU_cUc​. However, the strong-coupling expansion of the gap permits a reliable extrapolation of the critical interaction strength.
We present the exact solution of the one-dimensional extended Hubbard model in the atomic limit within the Green's function and equations of motion formalism. We provide a comprehensive and systematic analysis of the model by considering all the relevant response and correlation functions as well as thermodynamic quantities in the whole parameters space. At zero temperature we identify four phases in the plane (U,n) ( U is the on-site potential and n is the filling) and relative phase transitions as well as different types of charge ordering. These features are endorsed by investigating at T=0 the chemical potential and pertinent local correlators, the particle and double occupancy correlation functions, the entropy, and by studying the behavior in the limit T-->0 of the charge and spin susceptibilities. A detailed study of the thermodynamic quantities is also presented at finite temperature. This study evidences that a finite-range order persists for a wide range of the temperature, as shown by the behavior of the correlation functions and by the two-peak structure exhibited by the charge susceptibility and by the entropy. Moreover, the equations of motion formalism, together with the use of composite operators, allows us to exactly determine the set of elementary excitations. As a result, the density of states can be determined and a detailed analysis of the specific heat allows for identifying the excitations and for ascribing its two-peak structure to a redistribution of the charge density.
Recent developments in the theoretical investigation of the one-dimensional Kondo lattice model by using the density matrix renormalization group (DMRG) method are discussed in this review. Short summaries are given of the zero-temperature DMRG method, the finite-temperature DMRG method, and also the application of the finite- T DMRG to dynamic quantities. Away from half-filling, the paramagnetic metallic state is shown to be a Tomonaga-Luttinger liquid with a large Fermi surface. The size of the large Fermi surface is determined by the sum of the densities of the conduction electrons and the localized spins. The correlation exponent of this metallic phase is smaller than 1/2. At half-filling the ground state is insulating. The excitation gaps are different, depending on the channels, the spin gap, the charge gap and the quasiparticle gap. The temperature dependence of the spin and charge susceptibilities and the specific heat are discussed. Particularly interesting is the temperature dependence of various excitation spectra, which indicates unusual properties for the Kondo insulators.