Related papers: Quantum Transport in a Biphenyl Molecule: Effects …
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A…
We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…
The thermoelectric transport through a molecular bridge is discussed, with an emphasis on the effects of inelastic processes of the transport electrons caused by the coupling to the vibrational modes of the molecule. In particular it is…
The ground states of few electrons confined in two vertically coupled quantum rings in the presence of an external magnetic field are studied systematically within the current spin-density functional theory. Electron-electron interactions…
The interplay of tunneling transport and carrier-mediated ferromagnetism in narrow semiconductor multi-quantum well structures containing layers of GaMnAs is investigated within a self-consistent Green's function approach, accounting for…
We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…
The quantum tunneling of the magnetization vector between excited levels are studied theoretically in single-domain ferromagnetic nanoparticles with biaxial crystal symmetry placed in an external magnetic field at an arbitarily directed…
Within the Sommerfeld atomic model the quantization of magnetic flux through the electronic orbits is investigated together with its dependency on additional sources of magnetic fields. These sources alter the magnetic flux through the…
Photon-assisted charge transport through a double barrier structure under a time periodic field in graphene is studied. Within the framework of the Floquet formalism and using the transfer matrix method, the transmission probabilities for…
We study the propagation of electrons in a circular quantum dot of gapped graphene subject to the magnetic flux $\phi$. We present analytical expressions for the eigenstates, scattering coefficients, scattering efficiency and radial…
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…
We discuss the electronic transport through molecules in the Kondo regime. We concentrate here on the influence of molecular vibrations. Two types of vibrations are investigated: (i) the breathing internal molecular modes, where the…
The electron transport properties of a four-terminal molecular device are computed within the framework of density functional theory and non-equilibrium Keldysh theory. The additional two terminals lead to new properties, including a…
Stationary electric transport in semiconductor nanostructures is studied by the method of nonequilibrium Green functions. In the case of sequential tunneling the results are compared with density matrix theory, providing almost identical…
We present a theory of current conduction through buckyball(C60) molecules on silicon by coupling a density functional treatment of the molecular levels embedded in silicon with a non-equilibrium Green's function (NEGF) treatment of quantum…
The influence of the inhomogeneous distribution of the magnetic flux on quantum transport through coupled double quantum dots embedded in an Aharonov-Bohm interferometer are investigated. We show that the effective tunnelling coupling…
Destructive quantum interference (QI) has been a source of interest as a new paradigm for molecular electronics as the electronic conductance is widely dependent on the occurrence or absence of destructive QI effects. In order to interpret…
We theoretically investigate the transport properties of a molecule embedded in one arm of a mesoscopic Aharonov-Bohm interferometer. Due to the presence of phonons the molecule level position ($\epsilon_d$) and the electron-electron…
The transport properties of a bilayer graphene are studied theoretically within a self-consistent Born approximation. The electronic spectrum is composed of $k$-linear dispersion in the low-energy region and $k$-square dispersion as in an…
The transport and fluctuation properties of organic molecules ordered parallel between two Au contact leads are investigated by the method of surface Green function. From first-principles simulation the relevant hopping parameters are…