Novel physics arises when strongly correlated system is driven out of equilibrium by external fields. Dramatic changes in physical properties, such as conductivity, are empirically observed in strongly correlated materials under high electric field. In particular, electric-field driven metal-insulator transitions are well-known as the resistive switching effect in a variety of materials, such as VO
2, V
2O
3 and other transition metal oxides. To satisfactorily explain both the phenomenology and its underlying mechanism, it is required to model microscopically the out-of-equilibrium dissipative lattice system of interacting electrons. In this thesis, we developed a systematic method of modeling non-equilibrium steady states for dissipative lattice systems by means of Non-equilibrium Green's function and Dynamical Mean Field Theory. We firstly establish a "minimum model" to formulate the strong-field transport in non-interacting dissipative electron lattice. This model is exactly soluble and convenient for discussing energy dissipation and steady-state properties. The formalism is then combined with Dynamical Mean Field Theory to provide a systematic framework describing the nonequilibrium steady-state of correlated materials. We use the formalism to study the strong-field transport properties of correlated materials, Mott insulators and Dirac electrons in graphene. We concentrate on the microscopic description of resistive switching. Of particular interest is the filament formation during the dynamical phase transition, which has been interpreted as a result of the delicate interplay between dissipation and Mott physics. We will also examine
IV characteristics and particularly the current saturation of Dirac electrons in graphene. The arXiv version has been updated with minor modifications and corrections.
In this work, nonadiabatic exchange-correlation (XC) potentials for time-dependent density-functional theory (TDDFT) for strongly correlated materials are derived in the limits of strong and weak correlations. After summarizing some essentials of the available dynamical mean-field theory (DMFT) XC potentials valid for these systems, we present details of the Sham–Schluter equation approach that we use to obtain, in principle, an exact XC potential from a many-body theory solution for the nonequilibrium electron self-energy. We derive the XC potentials for the one-band Hubbard model in the limits of weak and strong on-site Coulomb repulsion. To test the accuracy of the obtained potentials, we compare the TDDFT results obtained with these potentials with the corresponding nonequilibrium DMFT solution for the one-band Hubbard model and find that the agreement between the solutions is rather good. We also discuss possible directions to obtain a universal XC potential that would be appropriate for the case of intermediate interaction strengths, i.e., a nonadiabatic potential that can be used to perform TDDFT analysis of nonequilibrium phenomena, such as transport and other ultrafast properties of materials with any strength of electron correlation at any value in the applied perturbing field.