Reversal of particle-hole scattering-rate asymmetry in Anderson impurity model

We study the particle-hole asymmetry of the scattering rate in strongly correlated electron systems by examining the cubic $\omega^3$ and $\omega T^2$ terms in the imaginary part of the self-energy of the Anderson impurity model. We show that the sign is opposite in the weak-coupling and strong-coupling limits, explaining the differences found in theoretical approaches taking the respective limits as the starting points. The sign change in fact precisely delineates the cross-over between the weak and strong correlation regimes of the model. For weak interaction $U$ the sign reversal occurs for small values of the doping $\delta=1-n$, while for interaction of order $U \approx 2 \Gamma$, $\Gamma$ being the hybridization strength, the cross-over curve rapidly shifts to the large-doping range. This curve based on the impurity dynamics is genuinely different from other cross-over curves defined through impurity thermodynamic and static properties.Comment: 4 pages, 5 figure

Doping a correlated band insulator: A new route to half metallic behaviour

We demonstrate in a simple model the surprising result that turning on an on-site Coulomb interaction U in a doped band insulator leads to the formation of a half-metallic state. In the undoped system, we show that increasing U leads to a first order transition between a paramagnetic, band insulator and an antiferomagnetic Mott insulator at a finite value U_{AF}. Upon doping, the system exhibits half metallic ferrimagnetism over a wide range of doping and interaction strengths on either side of U_{AF}. Our results, based on dynamical mean field theory, suggest a novel route to half-metallic behavior and provide motivation for experiments on new materials for spintronics.Comment: 5 pages, 7 figure

Variational Monte Carlo and Configurational Interaction Studies of C60C_{60} and its Fragments

The $C_{60}$ molecule and its fragments are studied using Configuration Interaction (CI) and Variational Monte Carlo (VMC) techniques, within the Hubbard model. Using benzene as a test case, we compare the results of the approximate calculations with exact calculations. The fragments of $C_{60}$ studied are pyracylene, fluoranthene and corannulene. The energies, bond orders, spin-spin and charge-correlation functions of these systems are obtained for various values of the Hubbard parameter, $U$. The analysis of bond orders and correlation functions of these individual molecules allow us to visualise pyracylene as a naphthalene unit with two ethylenic moieties and fluoranthene as weakly bridged benzene and naphthalene units. Corannulene is the largest fragment of $C_{60}$ that we have studied. The hexagon-hexagon(h-h) bond orders are slightly larger than those of the hexagon-pentagon bonds(h-p), a feature also found in other fragments. We also find bonds between two co-ordinated carbon sites to be stronger than bonds involving three coordinated carbon sites. In $C_{60}$, the h-h bonds are stronger than in corannulene and the h-p bonds weaker than in corannulene for all correlation strengths. Introducing bond alternation in the buckyball enhances this difference.Comment: 42 pages, 5 figures available on request, to appear in J. Phys. Che

Phase Diagram of the Half-Filled Ionic Hubbard Model

We study the phase diagram of the ionic Hubbard model (IHM) at half-filling using dynamical mean field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered potential $\Delta$ and the on-site Hubbard U. In both the methods we find that for a finite $\Delta$ and at zero temperature, anti-ferromagnetic (AFM) order sets in beyond a threshold $U=U_{AF}$ via a first order phase transition below which the system is a paramagnetic band insulator. Both the methods show a clear evidence for a transition to a half-metal phase just after the AFM order is turned on, followed by the formation of an AFM insulator on further increasing U. We show that the results obtained within both the methods have good qualitative and quantitative consistency in the intermediate to strong coupling regime. On increasing the temperature, the AFM order is lost via a first order phase transition at a transition temperature $T_{AF}(U, \Delta)$ within both the methods, for weak to intermediate values of U/t. But in the strongly correlated regime, where the effective low energy Hamiltonian is the Heisenberg model, IPT is unable to capture the thermal (Neel) transition from the AFM phase to the paramagnetic phase, but the CTQMC does. As a result, at any finite temperature T, DMFT+CTQMC shows a second phase transition (not seen within DMFT+IPT) on increasing U beyond $U_{AF}$. At $U_N > U_{AF}$, when the Neel temperature $T_N$ for the effective Heisenberg model becomes lower than T, the AFM order is lost via a second order transition. In the 3-dimensonal parameter space of $(U/t,T/t,\Delta/t)$, there is a line of tricritical points that separates the surfaces of first and second order phase transitions.Comment: Revised versio

Quantum phase transition in capacitively coupled double quantum dots

We investigate two equivalent, capacitively coupled semiconducting quantum dots, each coupled to its own lead, in a regime where there are two electrons on the double dot. With increasing interdot coupling a rich range of behavior is uncovered: first a crossover from spin- to charge-Kondo physics, via an intermediate SU(4) state with entangled spin and charge degrees of freedom; followed by a quantum phase transition of Kosterlitz-Thouless type to a non-Fermi liquid `charge-ordered' phase with finite residual entropy and anomalous transport properties. Physical arguments and numerical renormalization group methods are employed to obtain a detailed understanding of the problem.Comment: 4 pages, 3 figure

Quasi-universal transient behavior of a nonequilibrium Mott insulator driven by an electric field

We use a self-consistent strong-coupling expansion for the self-energy (perturbation theory in the hopping) to describe the nonequilibrium dynamics of strongly correlated lattice fermions. We study the three-dimensional homogeneous Fermi-Hubbard model driven by an external electric field showing that the damping of the ensuing Bloch oscillations depends on the direction of the field, and that for a broad range of field strengths, a long-lived transient prethermalized state emerges. This long-lived transient regime implies that thermal equilibrium may be out of reach of the time scales accessible in present cold atom experiments, but shows that an interesting new quasi-universal transient state exists in nonequilibrium governed by a thermalized kinetic energy but not a thermalized potential energy. In addition, when the field strength is equal in magnitude to the interaction between atoms, the system undergoes a rapid thermalization, characterized by a different quasi-universal behavior of the current and spectral function for different values of the hopping.Comment: (5 pages, 5 figures, ReVTeX