相关论文: Ab initio quantum transport in AB-stacked bilayer …

We report a theory for analyzing nonlinear DC transport properties of mesoscopic or nanoscopic normal-superconducting (N-S) systems. Special attention was paid such that our theory satisfies gauge invariance. At the linear transport regime…

Scattering theory is employed to derive a Landauer-type formula for the spin and the charge currents, through a finite region where spin-orbit interactions are effective. It is shown that the transmission matrix yields the spatial direction…

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…

Recent experiments on conduction between a semiconductor and a superconductor have revealed a variety of new mesoscopic phenomena. Here is a review of the present status of this rapidly developing field. A scattering theory is described…

We present a scheme for calculating coherent electron transport in atomic-scale contacts. The method combines a formally exact Green's function formalism with a mean-field description of the electronic structure based on the Kohn-Sham…

A Drude-Boltzmann theory is used to calculate the transport properties of bilayer graphene. We find that for typical carrier densities accessible in graphene experiments, the dominant scattering mechanism is overscreened Coulomb impurities…

We introduce a computational framework for first-principles density matrix transport within the Wigner function formalism to predict transport of quantum-mechanical degrees of freedom such as spin over long time and length scales. This…

Transport through semiconductor nanostructures is a quantum-coherent process. This paper focuses on systems in which the electron's dynamics is ballistic and the transport is dominated by the scattering from structure boundaries. Opposite…

We propose a new orbital controlled model to explain the gate field induced switching of current in a semiconducting PbS-nanowire junction. A single particle scattering formalism in conjunction with a posteriori density functional approach…

As applied to the numerical simulation of electron transport and scattering processes in semiconductors an efficient model describing the scattering of electrons by the ionized impurities is proposed. On the example of GaAs at 77 and 300 K…

The scattering of carriers by charged dislocations in semiconductors is studied within the framework of the linearized Boltzmann transport theory with an emphasis on examining consequences of the extreme anisotropy of the scattering…

We derive an effective low-energy Hamiltonian for potassium loaded zeolite A, a unique ferromagnet from non-magnetic elements. We perform ab initio density functional calculations and construct maximally localized Wannier functions for…

We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…

By viewing current in the detecting lead of a spintronic device as being an ensemble of flowing spins corresponding to a mixed quantum state, where each spin itself is generally described by an improper mixture generated during the…

We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…

We discuss effects of anisotropic scattering in transport properties of ultracold atoms in three-dimensional optical potentials. Within the realm of the first Born approximation, we calculate the self energy, the scattering mean free time,…

For several years the electronic structure properties of the novel two-dimensional system silicene have been studied extensively. Electron transport across metal-silicence junctions, however, remains relatively unexplored. To address this…

We have developed a scattering matrix approach to coherent transport through an adiabatically driven conductor based on photon-assisted processes. To describe the energy exchange with the pumping fields we expand the Floquet scattering…

We report on dynamical quantum transport simulations for realistic molecular devices based on an approximate formulation of time-dependent Density Functional Theory with open boundary conditions. The method allows for the computation of…

In this letter, we propose a reduced-order model to bridge the particle transport mechanics and the macroscopic fluid dynamics in the highly scattered regime. A rigorous mathematical derivation and a concise physical interpretation are…