Local Self-Energy Approach For Electronic Structure Calculations

Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third-- nearest neighbors. Corrections beyond GW are evaluated and shown to be completely localized within a single unit cell. This can be viewed as a fully self consistent implementation of the dynamical mean field theory for electronic structure calculations of real solids using a perturbative impurity solver.Comment: 5 pages, 2 figure

Electrostatic interface tuning in correlated superconducting heterostructures

An electrostatic field, which is applied to a gated high-temperature superconducting (HTSC) film, is believed to affect the film similar to charge doping. Analyzing the pairing in terms of a t-J model, we show that a coupling to electric dipoles and phonons at the interface of film and dielectric gate localizes the injected charge and leads to a superconductor-insulator transition. This results in a dramatic modification of the doping dependent phase diagram close to and above the optimal doping which is expected to shed light on recent electric field-effect experiments with HTSC cuprates.Comment: 6 pages, 6 figures, to appear in Physical Review

Linear Response Calculations of Lattice Dynamics in Strongly Correlated Systems

We introduce a new linear response method to study the lattice dynamics of materials with strong correlations. It is based on a combination of dynamical mean field theory of strongly correlated electrons and the local density functional theory of electronic structure of solids. We apply the method to study the phonon dispersions of a prototype Mott insulator NiO. Our results show overall much better agreement with experiment than the corresponding local density predictions.Comment: 4 pages, 2 figure

Interplane charge dynamics in a valence-bond dynamical mean-field theory of cuprate superconductors

We present calculations of the interplane charge dynamics in the normal state of cuprate superconductors within the valence-bond dynamical mean-field theory. We show that by varying the hole doping, the c-axis optical conductivity and resistivity dramatically change character, going from metallic-like at large doping to insulating-like at low-doping. We establish a clear connection between the behavior of the c-axis optical and transport properties and the destruction of coherent quasiparticles as the pseudogap opens in the antinodal region of the Brillouin zone at low doping. We show that our results are in good agreement with spectroscopic and optical experiments.Comment: 5 pages, 3 figure

Effective action approach to strongly correlated fermion systems

We construct a new functional for the single particle Green's function, which is a variant of the standard Baym Kadanoff functional. The stability of the stationary solutions to the new functional is directly related to aspects of the irreducible particle hole interaction through the Bethe Salpeter equation. A startling aspect of this functional is that it allows a simple and rigorous derivation of both the standard and extended dynamical mean field (DMFT) equations as stationary conditions. Though the DMFT equations were formerly obtained only in the limit of infinite lattice coordination, the new functional described in the work, presents a way of directly extending DMFT to finite dimensional systems, both on a lattice and in a continuum. Instabilities of the stationary solution at the bifurcation point of the functional, signal the appearance of a zero mode at the Mott transition which then couples t o physical quantities resulting in divergences at the transition.Comment: 9 page

Critical behavior at Mott-Anderson transition: a TMT-DMFT perspective

We present a detailed analysis of the critical behavior close to the Mott-Anderson transition. Our findings are based on a combination of numerical and analytical results obtained within the framework of Typical-Medium Theory (TMT-DMFT) - the simplest extension of dynamical mean field theory (DMFT) capable of incorporating Anderson localization effects. By making use of previous scaling studies of Anderson impurity models close to the metal-insulator transition, we solve this problem analytically and reveal the dependence of the critical behavior on the particle-hole symmetry. Our main result is that, for sufficiently strong disorder, the Mott-Anderson transition is characterized by a precisely defined two-fluid behavior, in which only a fraction of the electrons undergo a "site selective" Mott localization; the rest become Anderson-localized quasiparticles.Comment: 4+ pages, 4 figures, v2: minor changes, accepted for publication in Phys. Rev. Let

Wigner-Mott scaling of transport near the two-dimensional metal-insulator transition

Electron-electron scattering usually dominates the transport in strongly correlated materials. It typically leads to pronounced resistivity maxima in the incoherent regime around the coherence temperature $T^{*}$, reflecting the tendency of carriers to undergo Mott localization following the demise of the Fermi liquid. This behavior is best pronounced in the vicinity of interaction-driven (Mott-like) metal-insulator transitions, where the $T^{*}$ decreases, while the resistivity maximum $\rho_{max}$ increases. Here we show that, in this regime, the entire family of resistivity curves displays a characteristic scaling behavior $\rho(T)/\rho_{max}\approx F(T/T_{max}),$ while the $\rho_{max}$ and $T_{max}\sim T^{*}$ assume a powerlaw dependence on the quasi-particle effective mass $m^{*}$. Remarkably, precisely such trends are found from an appropriate scaling analysis of experimental data obtained from diluted two-dimensional electron gases in zero magnetic fields. Our analysis provides strong evidence that inelastic electron-electron scattering -- and not disorder effects -- dominates finite temperature transport in these systems, validating the Wigner-Mott picture of the two-dimensional metal-insulator transition.Comment: 7 page

Landau Theory of the Finite Temperature Mott Transition

In the context of the dynamical mean-field theory of the Hubbard model, we identify microscopically an order parameter for the finite temperature Mott endpoint. We derive a Landau functional of the order parameter. We then use the order parameter theory to elucidate the singular behavior of various physical quantities which are experimentally accessible.Comment: 4 pages, 2 figure

Anomalous magnetic properties near Mott transition in Kagom\'e lattice Hubbard model

We investigate the characteristics of the metallic phase near the Mott transition in the Kagom\'e lattice Hubbard model using the cellular dynamical mean field theory. By calculating the specific heat and spin correlation functions, we demonstrate that the quasiparticles show anomalous properties in the metallic phase close to the Mott transition. We find clear evidence for the multi-band heavy quasiparticles in the specific heat, which gives rise to unusual temperature dependence of the spin correlation functions.Comment: 2 pages, 3 figures, accepted for publication in J. Mag. Mag. Mater. (Proceedings of the ICM, Kyoto, Japan, August 2006