相关论文: One-dimensional ballistic transport with FLAPW Wan…
We investigate the conductance of a quantum wire with two embedded quantum dots using a T-matrix approach based on the Lippmann-Schwinger formalism. The quantum dots are represented by a quantum well with Gaussian shape and the wire is…
We calculate the spin transport of hydrogenated graphene using the Landauer-B\"uttiker formalism with a spin-dependent tight-binding Hamiltonian. The advantages of using this method is that it simultaneously gives information on sheet…
In transport experiments the quantum nature of matter becomes directly evident when changes in conductance occur only in discrete steps, with a size determined solely by Planck's constant h. The observations of quantized steps in the…
Spin-orbit coupling in organic crystals is responsible for many spin-relaxation phenomena, going from spin diffusion to intersystem crossing. With the goal of constructing effective spin-orbit Hamiltonians to be used in multiscale…
A microwave setup for mode-resolved transport measurement in quasi-one-dimensional (quasi-1D) structures is presented. We will demonstrate a technique for direct measurement of the Green's function of the system. With its help we will…
We present an effective medium theory based on density functional theory that is implemented in VASP using the PAW method with a plane wave basis set. The transmission coefficient is derived through three complementary approaches: the…
As the characteristic lengths of advanced electronic devices are approaching the atomic scale, ab initio simulation method, with fully consideration of quantum mechanical effects, becomes essential to study the quantum transport phenomenon…
The tuneability and control of quantum nanostructures in two-dimensional materials offer promising perspectives for their use in future electronics. It is hence necessary to analyze quantum transport in such nanostructures. Material…
The sp3d5s*-spin-orbit-coupled atomistic tight-binding (TB) model is used for the electronic structure calculation of Si nanowires (NWs), self consistently coupled to a 2D Poisson equation, solved in the cross section of the NW. Upon…
We describe microscopic theory for the quantum transport through finite interacting systems connected to noninteracting leads. It can be applied to small systems such as quantum dots, quantum wires, atomic chain, molecule, and so forth. The…
We introduce a new quantum transport formalism based on a map of a real 3-dimensional lead-conductor-lead system into an effective 1-dimensional system. The resulting effective 1D theory is an in principle exact formalism to calculate the…
The transport properties of junctions composed of a central region tunnel-coupled to external electrodes are frequently studied within the single-impurity Anderson model with Hubbard on-site interaction. In the present work, we supplement…
We present a comprehensive theory of spin transport in a non-degenerate semiconductor that is in contact with multiple ferromagnetic terminals. The spin dynamics in the semiconductor is studied during a perturbation of a general,…
With recent developments in spintronics, it is now possible to envision spin-driven devices with magnets and interconnects that require a new class of transport models using generalized Fermi functions and currents, each with four…
We present a robust algorithm that computes (maximally localized) Wannier functions (WFs) without the need of providing an initial guess. Instead, a suitable starting point is constructed automatically from so-called local orbitals which…
Transport phenomena in clean ferromagnet-superconductor-ferromagnet (FSF) trilayers are studied theoretically for a general case of arbitrary orientation of in-plane magnetizations and interface transparencies. Generalized expressions for…
Many of the experiments in twisted bilayer graphene (TBG) differ from each other in terms of the details of their phase diagrams. Few controllable aspects aside, this discrepancy is largely believed to be arising from the presence of a…
The description of realistic strongly correlated systems has recently advanced through the combination of density functional theory in the local density approximation (LDA) and dynamical mean field theory (DMFT). This LDA+DMFT method is…
We present a method which uses density functional theory (DFT) to treat transport through a single molecule connected to two conducting leads for the weak and intermediate coupling. This case is not accessible to standard non-equilibrium…
We present theoretical predictions of spintronic transport phenomena that should be observable in ferromagnetic Fe nanocontacts bridged by chains of Fe atoms. We develop appropriate model Hamiltonians based on semi-empirical considerations…