Spectral functions for single- and multi-Impurity models using DMRG

This article focuses on the calculation of spectral functions for single- and multi-impurity models using the density matrix renormalization group (DMRG). To calculate spectral functions from DMRG, the correction vector method is presently the most widely used approach. One, however, always obtains Lorentzian convoluted spectral functions, which in applications like the dynamical mean-field theory can lead to wrong results. In order to overcome this restriction we show how to use the Lehmann formula to calculate a peak spectrum for the spectral function. We show that this peak spectrum is a very good approximation to a deconvolution of the correction vector spectral function. Calculating this deconvoluted spectrum directly from the DMRG basis set and operators is the most natural approach, because it uses only information from the system itself. Having calculated this excitation spectrum, one can use an arbitrary broadening to obtain a smooth spectral function, or directly analyze the excitations. As a nontrivial test we apply this method to obtain spectral functions for a model of three coupled Anderson impurities. Although, we are focusing in this article on impurity models, the proposed method for calculating the peak spectrum can be easily adapted to usual lattice models.Comment: 11 pages, 14 figure

Large and Small Fermi-Surface Spin Density Waves in the Kondo Lattice Model

We demonstrate the existence of metallic spin density waves (SDWs) in the Kondo lattice model on a square lattice for a wide range of parameters by means of real space dynamical mean field theory. In these SDWs, the spin polarization as well as the charge density depend on the lattice site and are modulated along one direction of the square lattice. We show that within this phase of metallic SDWs the Fermi surface changes from small to large, when the coupling strength is increased. Furthermore, the transition between the large Fermi-surface SDW phase and the paramagnetic phase is of second order, while the transition between the small Fermi-surface SDW phase and the paramagnetic phase is of first order. A local quantum critical point is thus avoided in our calculations by undergoing a first order phase transition

Half-filled Hubbard Model on a Bethe lattice with next-nearest neighbor hopping

We study the interplay between N\'eel-antiferromagnetism and the paramagnetic metal-insulator-transition (PMIT) on a Bethe lattice with nearest and next-nearest eighbor hopping $t_1$ and $t_2$. We concentrate in this paper on the situation at half-filling. For $t_2/t_1\to 1$ the PMIT outgrows the antiferromagnetic phase and shows a scenario similar to V$_2$O$_3$. In this parameter regime we also observe a novel magnetic phase.Comment: 8 pages, 10 figure