Related papers: Mott-Anderson transition in disordered charge tran…
We develop a nanoscale dynamical mean-field theory (nano-DMFT) to deal with strong Coulomb interaction effects in physical systems that are intermediate in size between atoms and bulk materials, taking into account the tunneling into nearby…
Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in…
We propose that a specific spatial configuration of lattice sites that energetically favor {\it 3+} or {\it 4+} Mn ions in moderately doped manganites constitutes approximately a spatially random two-energy-level system. Such an effect…
The effect of disorder on a class of transition metal oxides described by a single orbital Hubbard model at half filling is investigated. The phases are characterized by the nature of the electronic and spin excitations. The frequency and…
We develop a variational perturbation expansion around dynamical mean-field theory (DMFT) that systematically incorporates nonlocal correlations beyond the local correlations treated by DMFT. We apply this approach to investigate how the…
Thermodynamic and dynamical properties of filling-control metal-insulator transition (MIT) in the Hubbard model are studied by the operator projection method, especially in two dimensions. This is a non-perturbative analytic approach to…
The correlation-driven Mott transition is commonly characterized by a drop in resistivity across the insulator-metal phase boundary; yet, the complex permittivity provides a deeper insight into the microscopic nature. We investigate the…
Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme…
We show that the Mott transition occurring in bosonic Hubbard models can be successfully described by a simple variational wave function that contains all important long-wavelength correlations. Within this approach, a smooth…
We discuss the recently proposed LDA'+DMFT approach providing consistent parameter free treatment of the so called double counting problem arising within the LDA+DMFT hybrid computational method for realistic strongly correlated materials.…
We investigate the nonequilibrium dynamics of the weak-coupling Hubbard-Holstein model after a sudden switch-on of the electron-phonon interaction within nonequilibrium dynamical mean-field theory (DMFT). Using the self-consistent Migdal…
We study time-dependent electron transport through an Anderson model. The electronic interactions on the impurity site are included via the self-energy approximations at Hartree-Fock (HF), second Born (2B), GW, and T-Matrix level as well as…
We investigate a photoinduced insulator-metal transition in the Falicov-Kimball model with the dynamical mean-field theory (DMFT) extended to nonequilibrium systems in periodic modulations in time. When the photon energy of the pump light…
We present a large-scale combinatorial-diagrammatic computation of high-order contributions to the strong-coupling Kato-Takahashi perturbation series for the Hubbard model in high dimensions. The ground-state energy of the Mott-insulating…
In this work, we present an atomistic first-principles framework for modeling the low-temperature electronic and transport properties of disordered two-dimensional (2D) materials with randomly distributed point defects (impurities). The…
We examine the localization properties of the three-dimensional (3D) Anderson Hamiltonian with off-diagonal disorder using the transfer-matrix method (TMM) and finite-size scaling (FSS). The nearest-neighbor hopping elements are chosen…
We analyze the nature of Mott metal-insulator transition in multiorbital systems using dynamical mean-field theory (DMFT). The auxiliary multiorbital quantum impurity problem is solved using continuous time quantum Monte Carlo (CTQMC) and…
We investigate the half-filled Hubbard model with spatially alternating interactions by means of the two-site dynamical mean-field theory. It is found that a single Mott transition occurs when two kinds of interactions are increased. This…
We develop a cluster dynamical mean field theory of the periodic Anderson model in three dimensions, taking a cluster of two sites as a basic reference frame. The mean field theory displays the basic features of the Doniach phase diagram: a…
We investigate the 1D Anderson-Hubbard model at half filling with box-disorder. The ground state phase diagram is obtained by means of real-space dynamical mean-field theory (R-DMFT) and the density matrix renormalization group (DMRG). We…