Related papers: Particle current rectification in a quasi-periodic…
We present a unified transport theory of hybrid structures, in which a confined normal state ($N$) sample is sandwiched between two leads each of which can be either a ferromagnet ($F$) or a superconductor ($S$) via tunnel barriers. By…
Electron gas in a wire connected to two terminals with potential drop is studied with the Schwinger-Keldysh formalism. Recent studies, where the current is enforced to flow with a Lagrange-multiplier term, demonstrated that the current…
The Aubry-Andr\'e model describes a system with quasiperiodic lattice modulation. In one dimension the AAH model is known to exhibit a sharp metal to insulator transition at a self-dual critical point at which all the states in the spectrum…
We generalize the formalism of the dynamical vertex approximation (D$\Gamma$A) -- a diagrammatic extension of the dynamical mean-field theory (DMFT)-- to treat magnetically ordered phases. To this aim, we start by concisely illustrating the…
Quantum thermal transport in two-quantum-dot system with Dzyaloshinskii-Moriya interaction (DM interaction) has been studied. The sign of thermal rectification can be controlled through changing the energy splitting or the DM interaction…
The current-voltage characteristics in Langmuir-Blodgett monolayers of \gamma-hexadecylquinolinium tricyanoquinodimethanide (C16H33Q-3CNQ) sandwiched between Al or Au electrodes is calculated, combining ab initio and self-consistent tight…
We study the electronic transport through short DNA chains with various sequences of base pairs between voltage-biased leads. The strong coupling of the charge carriers to local vibrations of the base pairs leads to the formation of…
The Non-Equilibrium Green's Function (NEGF) method combined with ab initio calculations has been widely used to study charge transport in molecular junctions. However, the significant computational demands of high-resolution calculations…
We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions [Phys. Rev. B {\bf 84}, 235428 (2011)]. We consider a model single-molecule nanojunction in the presence of two…
We address an unexpectedly large rectification using a simple quantum wire with correlated site potentials. The external electric field, associated with voltage bias, leads to unequal charge currents for two different polarities of external…
We present a real-time second-order Green's function (GF) method for computing excited states in molecules and nanostructures, with a computational scaling of $O(N_{\rm e}^3$), where $N_{\rm e}$ is the number of electrons. The cubic scaling…
The hyperfine structure (HFS) of a bound electron is modified by the self-interaction of the electron with its own radiation field. This effect is known as the self-energy correction. In this work, we discuss the evaluation of higher-order…
Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a short linear wire which is connected to para- and ferromagnetic electrodes. Molecule…
We present a novel dynamic configuration technique for deep neural networks that permits step-wise energy-accuracy trade-offs during runtime. Our configuration technique adjusts the number of channels in the network dynamically depending on…
Strongly interacting electron systems can provide insight into quantum many-body phenomena, such as Mott insulating behavior and spin liquidity, facilitating semiconductor optimization. The Fermi-Hubbard model is the prototypical model used…
This article presents an alternative formulation of quasi-degenerate perturbation theory (QDPT). The development results by simplifying established many-body (MB) techniques to systems of non-interacting particles (NIP). While the physical…
This article presents an overview on recent progress in the theory of nonequilibrium Green functions (NEGF). NEGF, presently, are the only \textit{ab-initio} quantum approach that is able to study the dynamics of correlations for long times…
The functional renormalization group (FRG) has been used widely to investigate phase diagrams, in particular the one of the two-dimensional Hubbard model. So far, the study of one-dimensional models has not attracted as much attention. We…
The strong bending of polymers is poorly understood. We propose a general quantitative framework of polymer bending that includes both the weak and strong bending regimes on the same footing, based on a single general physical principle. As…
We study an intermediate quantum coherent-incoherent charge transport mechanism in metal-molecule-metal junctions using B\"uttiker's probe technique. This tool allows us to include incoherent effects in a controlled manner, and thus to…