Reply to the Comment on "Enhancement of the Tunneling Density of States in Tomonaga-Luttinger Liquids"

In their comment Fabrizio and Gogolin dispute our result of the enhancement of the tunneling density of states in a Tomonaga-Luttinger liquid at the location of a backward scattering defect [Phys. Rev. Lett. 76, 4230(1996); cond-mat/9601020]. They state that the anticommutativity of the fermion operators of the left and right moving electrons was not considered properly in the Letter. We show in the Reply that the result of the Letter can be reproduced following the Comment when its calculations are performed correctly. This clearly indicates that the question about the anticommutation relations was raised by Fabrizio and Gogolin without serious grounds.Comment: Published in PRL as a Reply to the Comment by Fabrizio and Gogolin (cond-mat/9702080

The Out-of-Equilibrium Time-Dependent Gutzwiller Approximation

We review the recently proposed extension of the Gutzwiller approximation, M. Schiro' and M. Fabrizio, Phys. Rev. Lett. 105, 076401 (2010), designed to describe the out-of-equilibrium time-evolution of a Gutzwiller-type variational wave function for correlated electrons. The method, which is strictly variational in the limit of infinite lattice-coordination, is quite general and flexible, and it is applicable to generic non-equilibrium conditions, even far beyond the linear response regime. As an application, we discuss the quench dynamics of a single-band Hubbard model at half-filling, where the method predicts a dynamical phase transition above a critical quench that resembles the sharp crossover observed by time-dependent dynamical mean field theory. We next show that one can actually define in some cases a multi-configurational wave function combination of a whole set of mutually orthogonal Gutzwiller wave functions. The Hamiltonian projected in that subspace can be exactly evaluated and is equivalent to a model of auxiliary spins coupled to non-interacting electrons, closely related to the slave-spin theories for correlated electron models. The Gutzwiller approximation turns out to be nothing but the mean-field approximation applied to that spin-fermion model, which displays, for any number of bands and integer fillings, a spontaneous $Z_2$ symmetry breaking that can be identified as the Mott insulator-to-metal transition.Comment: 25 pages. Proceedings of the Hvar 2011 Workshop on 'New materials for thermoelectric applications: theory and experiment

Efficient implementation of the Gutzwiller variational method

We present a self-consistent numerical approach to solve the Gutzwiller variational problem for general multi-band models with arbitrary on-site interaction. The proposed method generalizes and improves the procedure derived by Deng et al., Phys. Rev. B. 79 075114 (2009), overcoming the restriction to density-density interaction without increasing the complexity of the computational algorithm. Our approach drastically reduces the problem of the high-dimensional Gutzwiller minimization by mapping it to a minimization only in the variational density matrix, in the spirit of the Levy and Lieb formulation of DFT. For fixed density the Gutzwiller renormalization matrix is determined as a fixpoint of a proper functional, whose evaluation only requires ground-state calculations of matrices defined in the Gutzwiller variational space. Furthermore, the proposed method is able to account for the symmetries of the variational function in a controlled way, reducing the number of variational parameters. After a detailed description of the method we present calculations for multi-band Hubbard models with full (rotationally invariant) Hund's rule on-site interaction. Our analysis shows that the numerical algorithm is very efficient, stable and easy to implement. For these reasons this method is particularly suitable for first principle studies -- e.g., in combination with DFT -- of many complex real materials, where the full intra-atomic interaction is important to obtain correct results.Comment: 19 pages, 7 figure

Superconductivity in the doped bilayer Hubbard model

We study by the Gutzwiller approximation the melting of the valence bond crystal phase of a bilayer Hubbard model at sufficiently large inter-layer hopping. We find that a superconducting domain, with order parameter $d_{z^2-r^2}$, $z$ being the inter-layer direction and $r$ the intra-layer one, is stabilized variationally close to the half-filled non-magnetic Mott insulator. Superconductivity exists at half-filling just at the border of the Mott transition and extends away from half-filling into a whole region till a critical doping, beyond which it gives way to a normal metal phase. This result suggests that superconductivity should be unavoidably met by liquefying a valence bond crystal, at least when each layer is an infinite coordination lattice and the Gutzwiller approximation becomes exact. Remarkably, this same behavior is well established in the other extreme of two-leg Hubbard ladders, showing it might be of quite general validity.Comment: 9 pages, 5 figure

Electronic correlations stabilize the antiferromagnetic Mott state in Cs3_3C60_{60}

Cs$_3$C$_{60}$ in the A15 structure is an antiferromagnet at ambient pressure in contrast with other superconducting trivalent fullerides. Superconductivity is recovered under pressure and reaches the highest critical temperature of the family. Comparing density-functional calculations with generalized gradient approximation to the hybrid functional HSE, which includes a suitable component of exchange, we establish that the antiferromagnetic state of Cs$_3$C$_{60}$ is not due to a Slater mechanism, and it is stabilized by electron correlation. HSE also reproduces the pressure-driven metalization. Our findings corroborate previous analyses suggesting that the properties of this compound can be understood as the result of the interplay between electron correlations and Jahn-Teller electron-phonon interaction.Comment: 4 pages, 3 figure

Electron interference and entanglement in coupled 1D systems with noise

We estimate the role of noise in the formation of entanglement and in the appearance of single- and two-electron interference in systems of coupled one-dimensional channels semiconductors. Two cases are considered: a single-particle interferometer and a two-particle interferometer exploiting Coulomb interaction. In both of them, environmental noise yields a randomization of the carrier phases. Our results assess how that the complementarity relation linking single-particle behavior to nonlocal quantities, such as entanglement and environment-induced decoherence, acts in electron interferometry. We show that, in a experimental implementation of the setups examined, one- and two-electron detection probability at the output drains can be used to evaluate the decoherence phenomena and the degree of entanglement.Comment: 12 pages, 6 figures. v2: added some references and corrected tex