Related papers: Nonequilibrium Green's-Function Approach to the Su…
Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…
In this work, we present an analytical framework for studying antiferromagnetic (AFM) Mott insulating states in the Hubbard model. We first derive an analytical solution for the single-particle Green's functions in the atomic limit. Within…
The role of the electron-phonon interaction in the Holstein-Hubbard model is investigated in the metallic phase close to the Mott transition and in the insulating Mott phase. The model is studied by means of a variational slave boson…
We present a framework to characterize Mott insulating phases within the interacting one-body picture, focusing on the Hubbard diamond chain featuring both Hubbard interactions and spin-orbit coupling simulated within cellular dynamical…
Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, "first-principles" stage. In this paper we begin by presenting brief highlights of recent progress made in the…
The manipulation of electronic structure through periodic electric fields enables the reversible control of effective interactions in extended antiferromagnetic Mott insulators on ultrafast timescales. A careful analytical examination of…
Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $\epsilon_{i}$ have a bimodal probability distribution and an energy separation…
There is extensive current interest about electronic topology in correlated settings. In strongly correlated systems, contours of Green's function zeros may develop in frequency-momentum space, and their role in correlated topology has…
We investigate nonlinear thermal transport properties of a single interacting quantum dot with two energy levels tunnel-coupled to two electrodes using nonequilibrium Green function method and Hartree-Fock decoupling approximation. In the…
Defects which appear in heterostructure junctions involving topological insulators are sources of gapless modes governing the low energy properties of the systems, as recently elucidated by Teo and Kane [Physical Review B82, 115120 (2010)].…
We prove that the Mott insulating state is characterized by a divergence of the electron self energy at well-defined values of momenta in the first Brillouin zone. When particle-hole symmetry is present, the divergence obtains at the…
In this overview we provide a general introduction to metal-insulator transitions, with focus on specific mechanisms that can localize the electrons in absence of magnetic or charge ordering, and produce well defined quantum critical…
Inspired by the poles-zeros duality of Green's functions that appears in transitions into Mott-insulating phases in strongly correlated condensed matter systems, we propose a semi-holographic approach to Mott insulators. In this model, a…
We investigate the emergence of topological features in the charge excitations of Mott insulators in the Chern-Hubbard model. In the strong correlation regime, treating electrons as the sum of holons and doublons excitations, we compute the…
Density functional theory calculations of electronic transport based on local exchange and correlation functionals contain self-interaction errors. These originate from the interaction of an electron with the potential generated by itself…
A technique allowing for a perturbative treatment of nonlocal corrections to the single-site dynamical mean-field theory (DMFT) in finite dimensions is developed. It is based on the observation that in the case of strong electron…
Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
We study evolution of metals from Mott insulators in the carrier-doped 2D Hubbard model using a cluster extension of the dynamical mean-field theory. While the conventional metal is simply characterized by the Fermi surface (pole of the…
At the Mott transition, electron-electron interaction changes a metal, in which electrons are itinerant, to an insulator, in which electrons are localized. This phenomenon is central to quantum materials. Here we contribute to its…