Related papers: An atomistic quantum transport solver with dephasi…
Recently observed Aharonov-Bohm quantum interference of period h/2e in charge density wave rings strongly suggest that correlated density wave electron transport is a cooperative quantum phenomenon. The picture discussed here posits that…
We investigate multi-terminal quantum transport through single monocyclic aromatic annulene molecules, and their derivatives, using the nonequilibrium Green function approach in the self-consistent Hartree-Fock approximation. A new device…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
We study the electronic transport through uniformly bent carbon nanotubes. For this purpose, we describe the nanotube with the tight-binding model and calculate the local current flow by employing non-equilibrium Green's functions (NEGF) in…
Charge transport in disordered organic semiconductors occurs by hopping of charge carriers between localized sites that are randomly distributed in a strongly energy dependent density of states. Extracting disorder and hopping parameters…
Using the non-equilibrium Keldysh Green's function formalism, we show that the non-equilibrium charge transport in nanoscopic quantum networks takes place via {\it current eigenmodes} that possess characteristic spatial patterns. We…
In a theoretical study of gas adsorption on carbon nanotubes (CNT) nonequilibrium processes of ionization, polarization, surface diffusion and desorption of atoms are considered self-consistently. The approach is based on Zubarev's method…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function…
The resonant-level model represents a paradigmatic quantum system which serves as a basis for many other quantum impurity models. We provide a comprehensive analysis of the non-equilibrium transport near a quantum phase transition in a…
We review the description and modeling of transport phenomena among the electron systems coupled via scalar or vector photons. It consists of three parts. The first part is about scalar photons, i.e., Coulomb interactions. The second part…
We report on systematic study of transport properties of a 1000-nm HgTe film. Unlike to thinner and strained HgTe films, which are known as high-quality three-dimensional (3D) topological insulators, the film under study is much thicker…
We investigate the piezoresistive effect of carbon nanotubes (CNTs) within density functional theory (DFT) aiming at application-relevant CNTs. CNTs are excellent candidates for the usage in nano-electromechanical sensors (NEMS) due to…
The transport properties of dense QCD matter play a crucial role in the physics of neutron stars and their mergers, but are notoriously difficult to study with traditional quantum field theory tools. Specializing to the case of unpaired…
We present a study on the quantum transport properties of chemically functionalized metallic double-walled carbon nanotubes (DWNTs) with lengths reaching the micrometer scale. First-principles calculations evidence that, for coaxial tubes…
The quantum dynamics of carriers bound to helical tube surfaces is investigated in a thin-layer quantization scheme. By numerically solving the open-boundary Schr$\ddot{\rm o}$dinger equation in curvilinear coordinates, geometric effect on…
We propose a simplified protocol of quantum energy teleportation (QET) for holographic conformal field theory (CFT) in 3-dimensional anti-de Sitter space with or without black hole. As a tentative proposal, we simplify the standard QET by…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
We propose an efficient procedure to obtain Green's functions by combining the shifted conjugate orthogonal conjugate gradient (shifted COCG) method with the nonequilibrium Green's function (NEGF) method based on a real-space…
In this work a framework for quantum transport simulation from first principles is introduced, focusing on the coherent case. The model is based on the non-equilibrium Green's function (NEGF) formalism and maximally localized Wannier…