d-wave superconductivity in the hubbard model

The superconducting instabilities of the doped repulsive 2D Hubbard model are studied in the intermediate to strong coupling regime with the help of the dynamical cluster approximation. To solve the effective cluster problem we employ an extended noncrossing approximation, which allows for a transition to the broken symmetry state. At sufficiently low temperatures we find stable d-wave solutions with off-diagonal long-range order. The maximal T(c) approximately 150 K occurs for a doping delta approximately 20% and the doping dependence of the transition temperatures agrees well with the generic high- T(c) phase diagram.     

Targeted self-assembly and quantum Monte Carlo magnetic study of an alternating nickel(II) 1D coordination polymer composed of highly preorganized binuclear tectons

A pyrazolate-based binucleating ligand HL with pyridyl groups in the chelate arms has been used to synthesize the dinickel(II) complex [LNi2(N3)(MeOH)2](ClO4)2 (1) and the corresponding 1D polymeric [LNi2(mu-N3)2]n(NO3)n (2) depending on the amount of NaN3 added. X-Ray crystallography shows that structural parameters of the (LNi2(N3)) units are very similar in both compounds. This is ascribed to pi-pi stacking between the pyridyl rings that leads to rigidification of the framework and a fixed cis-orientation of the remaining coordination sites, which are filled by MeOH molecules in or by a mu1,3-bridging azide that connects the subunits in 2. Variable-temperature magnetic measurements reveal strong antiferromagnetic coupling with parameters g = 2.21 and J = -60.7 cm(-1) for compound 1. Magnetic data for the extended chain 2 have been analyzed by Quantum Monte Carlo (QMC) simulations to give g = 2.34, J1 = -55 cm(-1), and J2 = -12 cm(-1). The known J value for finally allows unambiguous assignment of J1 to the intrasubunit coupling within each bimetallic chain constituent. The alternation ratio gamma = J2/J1 signifies a singlet-dimer ground state of the new 1D polymer 2.     

Electronic properties of CuO 2 -planes: A DMFT study

We study one-particle spectra and the electronic band-structure of a CuO ₂ -plane within the three-band Hubbard model. The Dynamical Mean-Field Theory (DMFT) is used to solve the many particle problem. The calculations show that the optical gap is given by excitations from the lower Hubbard band into the so called Zhang-Rice singlet band. The optical gap turns out to be considerably smaller than the bare charge transfer energy () for a typical set of parameters, which is in agreement with experiment. We also investigate the dependence of the shape of the Fermi surface on the different hopping parameters t CuO and t OO. A value t OO / t CuO >0 leads to a Fermi surface surrounding the M point. Received 21 September 1998 and Received in final form 8 June 1999     

Perturbational approach to the one particle properties of the Hubbard model

It is shown that the Hubbard model can be viewed as limiting case of a periodic Anderson model. This relation is used to set up a perturbation theory for the Hubbard model with the transfermatrixelementt as expansion parameter. One particle properties of the three dimensional Hubbard model in the half filled band case for several values of the local Coulomb interactionU calculated with this method are presented. The results give clear hints towards the formation of a gap in the excitation spectrum. The variation of the free energy on the model parameters is found to be in good agreement with expectations.This work was performed within the research program of SFB 252 Elektronisch hochkorrelierte metallische Materialien     

The Anderson model with finite Coulomb repulsion

A generalization of perturbational studies of the Anderson model to the case of finite Coulomb repulsionU between the localized electrons is presented. We evaluate one particle spectra for the impurity and the lattice case. When varyingU, systematic trends in the peak positions and in the dynamic energy scale are obtained, which agree well with intuitive expectations. The results provide an understanding of the Anderson model in the full range of its parameters to the same extent as was previously furnished by the NCA approach to theU= case.This work was performed within the research program of SFB 252 Elektronisch hochkorrelierte metallische Materialien     

Can Competition between the crystal field and the Kondo effect cause non-Fermi-liquid-like behavior?

The recently reported unusual behavior of the static and dynamical magnetic susceptibility as well as the specific heat in Ce(1-x)La(x)Ni9Ge4 has raised the question of a possible non-Fermi-liquid ground state in this material. We argue that for a consistent physical picture the crystal-field splitting of two low-lying magnetic doublets of the Ce 4f-shell must be taken into account. Furthermore, we show that for a splitting of the order of the low temperature scale T* of the system a crossover behavior between an SU(4) and an SU(2) Kondo effect is found. The screening of the two doublets occurs on different temperature scales leading to a different behavior of the magnetic susceptibility and the specific heat at low temperatures. The experimentally accessible temperature regime down to 50 mK still lies in the extended crossover regime into a strong-coupling Fermi-liquid fixed point.     

Magnetic and dynamic properties of the Hubbard model in infinite dimensions

An essentially exact solution of the infinite dimensional Hubbard model is made possible by using a self-consistent mapping of the Hubbard model in this limit to an effective single impurity Anderson model. Solving the latter with quantum Monte Carlo procedures enables us to obtain exact results for the one and two-particle properties of the infinite dimensional Hubbard model. In particular, we find antiferromagnetism and a pseudogap in the single-particle density of states for sufficiently large values of the intrasite Coulomb interaction at half filling. Both the antiferromagnetic phase and the insulating phase above the Néel temperature are found to be quickly suppressed on doping. The latter is replaced by a heavy electron metal with a quasiparticle mass strongly dependent on doping as soon asn<1. At half filling the antiferromagnetic phase boundary agrees surprisingly well in shape and order of magnitude with results for the three dimensional Hubbard model.     

Functional integral approach to the single impurity Anderson model

Recently, a functional integral representation was proposed by Weller [1], in which the fermionic fields strictly satisfy the constraint of no double occupancy at each lattice site. This is achieved by introducing spin dependent Bose fields. The functional integral method is applied to the single impurity Anderson model both in the Kondo and mixed-valence regime. Thef-electron Green's function and susceptibility are calculated using an Ising-like representation for the Bose fields. We discuss the difficulty to extract a spectral function from the knowledge of the imaginary time Green's function. The results are compared with NCA calculations.