相关论文: First-principles study of phenyl ethylene oligomer…

We demonstrate the practical feasibility of calculating transport coefficients such as the viscosity of liquids completely from first principles using the Green-Kubo relations. Results presented for liquid aluminum are shown to have a…

We report equilibrium and non-equilibrium conductance of terphenyl molecules with different anchoring groups including sulfur and nitrogen atom. The corresponding molecules are terphenyl-dithiols(TPDT) and diamino-terphenyl(DATP). The…

We use self-consistent quantum transport theory to investigate the influence of electron-electron interactions on interlayer transport in semiconductor electron bilayers in the absence of an external magnetic field. We conclude that, even…

This Letter uncovers five distinct charge transport modes and their transitions in dual-energy electron beam diodes. We via first-principle particle-in-cell (PIC) simulations establish that the specific mode (e.g., space charge…

Quantum transport through a double Aharonov-Bohm-interferometer in the presence of Andreev reflection is investigated in terms of the nonequilibrium Green function method with which the reflection current is obtained. Tunable Andreev…

Phonon-assisted tunneling plays a crucial role for electronic device performance and even more so with future size down-scaling. We show how one can include this effect in large-scale first-principles calculations using a single "special…

We present a quaternion inspired formalism specifically developed to evaluate the intensity of the electrical current that traverses a single molecule connected to two semi-infinite electrodes as the applied external bias is varied. The…

We develop a theory for spin transported by coherent Neel dynamics through an antiferromagnetic insulator coupled to a ferromagnetic insulator on one side and a current-carrying normal metal with strong spin-orbit coupling on the other. The…

We study coherence of electron transport through interacting quantum dots and discuss the relation of the coherent part to the flux-sensitive conductance for three different types of Aharonov-Bohm interferometers. Contributions to transport…

In recent years, several experimental groups have reported measurements of the current-voltage (I-V) characteristics of individual or small numbers of molecules. Our purpose in this chapter is to provide an intuitive explanation for the…

We present a study of electric transport at high temperature in a model of strongly interacting spinless fermions without disorder. We use exact diagonalization to study the statistics of the energy eigenvalues, eigenstates, and the matrix…

Using molecular dynamics simulations, we study particle-transport in a system of interacting colloidal particles on a ring, where the system is driven by a time-dependent external potential, moving along the ring. We consider two driving…

Theoretical and experimental values to date for the resistances of single molecules commonly disagree by orders of magnitude. By reformulating the transport problem using boundary conditions suitable for correlated many-electron systems, we…

We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal with pump fields of arbitrary strength, frequency and…

We study the large-time asymptotics of the edge current for a family of time-fractional Schrodinger equations with a constant, transverse magnetic field on a half-plane $(x,y) \in \mathbb{R}_x^+ \times \mathbb{R}_y$. The TFSE is…

All real physical processes, including of the first-passage time, occur with a change in entropy. This circumstance is not taken into account when studying the first-passage time, but is illustrated in this article using the example of…

We study electron transport through a semiconductor quantum ring with one input and two output terminals for an elastic scatterer present within one of the arms of the ring. We demonstrate that the scatterer not only introduces asymmetry in…

We derive an invariant form of the current-induced switching condition in spin-transfer devices and show that for energy minima and maxima the "switching ability" of the current is determined by the spin torque divergence. In contrast,…

We validate that off-resonant electron transport across {\it ultra-short} oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a method to determine the damping factor via the…

It is shown that in spin injection experiments the interplay between external magnetic field and alternating current can be observed already on a single ferromagnet/normal metal interface. The interface resistance is predicted to exhibit…