Electronic Theory for the Transition from Fermi-Liquid to Non-Fermi-Liquid Behavior in High-Tc_{c} Superconductors

We analyze the breakdown of Fermi-liquid behavior within the 2D Hubbard model as function of doping using our recently developed numerical method for the self consistent summation of bubble and ladder diagrams. For larger doping concentrations the system behaves like a conventional Fermi-liquid and for intermediate doping similar to a marginal Fermi-liquid. However, for smaller doping pronounced deviations from both pictures occur which are due to the increasing importance of the short range antiferromagnetic spin fluctuations. This is closely related to the experimental observed shadow states in the normal state of high-$T_c$ superconductors. Furthermore, we discuss the implications of our results for transport experiments.Comment: 11 pages (REVTeX) with 4 figures (Postscript

Strong-coupling approach for strongly correlated electron systems

A perturbation theory scheme in terms of electron hopping, which is based on the Wick theorem for Hubbard operators, is developed. Diagrammatic series contain single-site vertices connected by hopping lines and it is shown that for each vertex the problem splits into the subspaces with ``vacuum states'' determined by the diagonal Hubbard operators and only excitations around these vacuum states are allowed. The rules to construct diagrams are proposed. In the limit of infinite spatial dimensions the total auxiliary single-site problem exactly splits into subspaces that allows to build an analytical thermodynamically consistent approach for a Hubbard model. Some analytical results are given for the simple approximations when the two-pole (alloy-analogy solution) and four-pole (Hartree-Fock approximation) structure for Green's function is obtained. Two poles describe contribution from the Fermi-liquid component, which is dominant for small electron and hole concentrations (``overdoped case'' of high-$T_c$'s), whereas other two describe contribution from the non-Fermi liquid and are dominant close to half-filling (``underdoped case'').Comment: 14 pages, revtex, feynmf, 5 EPS figures, two-column PRB style, published in PR

Fluctuation-driven insulator-to-metal transition in an external magnetic field

We consider a model for a metal-insulator transition of correlated electrons in an external magnetic field. We find a broad region in interaction and magnetic field where metallic and insulating (fully magnetized) solutions coexist and the system undergoes a first-order metal-insulator transition. A global instability of the magnetically saturated solution precedes the local ones and is caused by collective fluctuations due to poles in electron-hole vertex functions.Comment: REVTeX 4 pages, 3 PS figure

The Mott-Hubbard Transition on the D=infinity Bethe Lattice

In view of a recent controversy we investigated the Mott-Hubbard transition in D=infinity with a novel cluster approach. i) We show that any truncated Bethe lattice of order n can be mapped exactly to a finite Hubbard-like cluster. ii) We evaluate the self-energy numerically for n=0,1,2 and compare with a series of self-consistent equation-of-motion solutions. iii) We find the gap to open continously at the critical U_c~2.5t* (t = t* / sqrt{4d}). iv) A low-energy theory for the Mott-Hubbard transition is developed and relations between critical exponents are presented.Comment: Replaced with the published versio

Extended DFT+U+V method with on-site and inter-site electronic interactions

In this article we introduce a generalization of the popular DFT+U method based on the extended Hubbard model that includes on-site and inter-site electronic interactions. The novel corrective Hamiltonian is designed to study systems for which electrons are not completely localized on atomic states (according to the general scheme of Mott localization) and hybridization between orbitals from different sites plays an important role. The application of the extended functional to archetypal Mott - charge-transfer (NiO) and covalently bonded insulators (Si and GaAs) demonstrates its accuracy and versatility and the possibility to obtain a unifying and equally accurate description for a broad range of very diverse systems

Effects of Electronic Correlations on the Thermoelectric Power of the Cuprates

We show that important anomalous features of the normal-state thermoelectric power S of high-Tc materials can be understood as being caused by doping dependent short-range antiferromagnetic correlations. The theory is based on the fluctuation-exchange approximation applied to Hubbard model in the framework of the Kubo formalism. Firstly, the characteristic maximum of S as function of temperature can be explained by the anomalous momentum dependence of the single-particle scattering rate. Secondly, we discuss the role of the actual Fermi surface shape for the occurrence of a sign change of S as a function of temperature and doping.Comment: 4 pages, with eps figure

Linked Cluster Expansion Around Mean-Field Theories of Interacting Electrons

A general expansion scheme based on the concept of linked cluster expansion from the theory of classical spin systems is constructed for models of interacting electrons. It is shown that with a suitable variational formulation of mean-field theories at weak (Hartree-Fock) and strong (Hubbard-III) coupling the expansion represents a universal and comprehensive tool for systematic improvements of static mean-field theories. As an example of the general formalism we investigate in detail an analytically tractable series of ring diagrams that correctly capture dynamical fluctuations at weak coupling. We introduce renormalizations of the diagrammatic expansion at various levels and show how the resultant theories are related to other approximations of similar origin. We demonstrate that only fully self-consistent approximations produce global and thermodynamically consistent extensions of static mean field theories. A fully self-consistent theory for the ring diagrams is reached by summing the so-called noncrossing diagrams.Comment: 17 pages, REVTEX, 13 uuencoded postscript figures in 2 separate file

Incoherent non-Fermi liquid scattering in a Kondo lattice

One of the most notorious non-Fermi liquid properties of both archetypal heavy-fermion systems [1-4] and the high-Tc copper oxide superconductors [5] is an electrical resistivity that evolves linearly with temperature, T. In the heavy-fermion superconductor CeCoIn5 [5], this linear behaviour was one of the first indications of the presence of a zero-temperature instability, or quantum critical point. Here, we report the observation of a unique control parameter of T-linear scattering in CeCoIn5, found through systematic chemical substitutions of both magnetic and non-magnetic rare-earth, R, ions into the Ce sub-lattice. We find that the evolution of inelastic scattering in Ce1-xRxCoIn5 is strongly dependent on the f-electron configuration of the R ion, whereas two other key properties -- Cooper-pair breaking and Kondo-lattice coherence -- are not. Thus, T-linear resistivity in CeCoIn5 is intimately related to the nature of incoherent scattering centers in the Kondo lattice, which provides insight into the anomalous scattering rate synonymous with quantum criticality [7].Comment: 4 pages, 3 figures (published version

Fermi Liquid Damping and NMR Relaxation in Superconductors

Electron collisions for a two dimensional Fermi liquid (FL) are shown to give a quasiparticle damping with interesting frequency and temperature variations in the BCS superconducting state. The spin susceptibility which determines the structure of the damping is analyzed in the normal state for a Hubbard model with a constant on--site Coulomb repulsion. This is then generalized to the superconducting state by including coherence factors and self energy and vertex corrections. Calculations of the NMR relaxation rate reveal that the FL damping structure can reduce the Hebel--Slichter peak, in agreement with data on the organic superconductor (MDT-TTF)$_2$AuI$_2$. However, the strongly suppressed FL damping in the superconducting state does not eliminate the Hebel-Slichter peak, and thus suggests that other mechanisms are needed to explain the NMR data on (TMTSF)$_2$ClO$_4$, the BEDT organic compounds, and cuprate superconductors. Predictions of the temperature variation of the damping and the spin response are given over a wide frequency range as a guide to experimental probes of the symmetry of the superconducting pairs.Comment: 10 pages, RevTeX 3.0, 9 figures in uuencoded postscrip

Effect of Disorder on Fermi surface in Heavy Electron Systems

The Kondo lattice model with substitutional disorder is studied with attention to the size of the Fermi surface and the associated Dingle temperature. The model serves for understanding heavy-fermion Ce compounds alloyed with La according to substitution Ce{x}La{1-x}. The Fermi surface is identified from the steepest change of the momentum distribution of conduction electrons, and is derived at low enough temperature by the dynamical mean-field theory (DMFT) combined with the coherent potential approximation (CPA). The Fermi surface without magnetic field increases in size with decreasing x from x=1 (Ce end), and disappears at such x that gives the same number of localized spins as that of conduction electrons. From the opposite limit of x=0 (La end), the Fermi surface broadens quickly as x increases, but stays at the same position as that of the La end. With increasing magnetic field, a metamagnetic transition occurs, and the Fermi surface above the critical field changes continuously across the whole range of x. The Dingle temperature takes a maximum around x=0.5. Implication of the results to experimental observation is discussed.Comment: 5 pages, 5 figure