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arXiv:cond-mat/0209305 · Physical review. B, Condensed matter

Zero-temperature series expansions for the Kondo lattice model at half filling

Weihong Zheng, J. Oitmaa

Published Jun 6, 2003• 13 citations
arXivHTMLPDF

Abstract

We present results for the Kondo lattice model of strongly correlated electrons, in one, two, and three dimensions, obtained from high-order linked-cluster series expansions. Results are given for various ground-state properties at half filling, and for spin and charge excitations. Estimates for the location of the quantum critical point in the square and simple cubic lattices are made.

DOI
10.1103/physrevb.67.214406

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We present results for the Kondo lattice model of strongly correlated electrons, in one, two, and three dimensions, obtained from high-order linked-cluster series expansions. Results are given for various ground-state properties at half filling, and for spin and charge excitations. Estimates for the location of the quantum critical point in the square and simple cubic lattices are made.
The ground-state energy E and momentum distribution n k of the electrons are expanded from the atomic limit for the half-filled Hubbard model. The coefficients of expansion are represented by the spin correlation functions of the spin 1 / 2 Heisenberg model. Using the spin-wave theory, approximate values of coefficients are calculated for the square lattice and the simple cubic lattice. In one dimension, the theory shows a good agreement with the exact solution. An effective spin Hamiltonian for the half-filled Hubbard model with arbitrary hopping integrals is obtained up to the fifth order. It is shown that the fourth term contains four spin interactions.
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.
Periodic Anderson model is one of the most important models in the field of strongly correlated electrons. With the recent developed numerical method density matrix embedding theory, we study the ground state properties of the periodic Anderson model on a two-dimensional square lattice. We systematically investigate the phase diagram away from half filling. We find three different phases in this region, which are distinguished by the local moment and the spin–spin correlation functions. The phase transition between the two antiferromagnetic phases is of first order. It is the so-called Lifshitz transition accompanied by a reconstruction of the Fermi surface. As the filling is close to half filling, there is no difference between the two antiferromagnetic phases. From the results of the spin–spin correlation, we find that the Kondo singlet is formed even in the antiferromagnetic phase.
Magnetic properties of the half-filled Hubbard model on three-dimensional bipartite lattices have been studied by using the linked-cluster series expansion method. The series for the free energy and the staggered susceptibility have been calculated as a function of \ensuremath{\mathrm{B}}t for three-dimensional bipartite lattices for an arbitrary value of the Coulomb interaction U. We obtain a transition from a paramagnetic to an antiferromagnetic U/t-TN{\mathrm{T}}_{\mathrm{N}}TN​ /t phase diagram from the divergence of the staggered susceptibility series. Comparisons with Monte Carlo simulation, Onsager reaction field result of an effective spin Hamiltonian, and large-U Heisenberg high-temperature solutions are made.
The relationship between charged and spin-excitation gaps of the half-filled Hubbard model, the symmetric periodic Anderson model, and the Kondo lattice model is considered for a general ddd-dimensional bipartite lattice. In a previous paper [G. S. Tian, Phys. Rev. B 58, 7612 (1998)], it was shown that the quasiparticle gaps of these models at half filling are always larger than their spin excitation gaps. In the present paper, we establish a theorem, which states that the charged gap is also greater than the corresponding spin gap in these models. This conclusion, which has been reached previously for one-dimensional systems based on variational and the density-matrix renormalization-group numerical calculations, is thus put on a rigorous and more general footing.
Thermodynamic properties of the one-dimensional Kondo lattice model at half-filling are studied by the density matrix renormalization group method applied to the quantum transfer matrix. Spin susceptibility, charge susceptibility, and specific heat are calculated down to T=0.1t for various exchange constants. The obtained results clearly show crossover behavior from the high temperature regime of nearly independent localized spins and conduction electrons to the low temperature regime where the two degrees of freedom couple strongly. The low temperature energy scales of the charge and spin susceptibilities are determined and shown to be equal to the quasiparticle gap and the spin gap, respectively, for weak exchange couplings.