Related papers: Quantum interference through gated single-molecule…
Vibrational nonequilibrium effects in charge transport through single-molecule junctions are investigated. Focusing on molecular bridges with multiple electronic states, it is shown that electronic-vibrational coupling triggers a variety of…
A local-orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact diagonalization. Then the self energy is constructed from an…
The field of molecular electronics has emerged from efforts to understand electron propagation through single molecules and to use them in electronic circuits. Serving as a testbed for advanced theoretical methods, it reveals a significant…
We report on inelastic electron tunneling spectroscopy measurements carried out on single molecules incorporated into a mechanically controllable break-junction of Au and Pt electrodes at low temperature. Here we establish a correlation…
An electronic orbital of a dihedral angle of a molecular chain is introduced. A tight-binding Hamiltonian on the basis of the dihedral orbitals is defined. This yields the Green's function between two dihedral angles of the chain. It is…
The conductance through a finite quantum dot network is studied as a function of inter-dot coupling. As the coupling is reduced, the system undergoes a transition from the antidot regime to the tight binding limit, where Coulomb resonances…
The electronic properties of junctions defined electrostatically on twisted bilayer graphene can be addressed theoretically using lattice models. Recent works have introduced minimal local orbital models to describe twisted bilayer graphene…
Electron transport characteristics are investigated through some molecular chains attached to two non-superconducting electrodes by the use of Green's function method. Here we do parametric calculations based on the tight-binding…
The response of the system, consisting of two kinds of opposite-charged fermions and their bound states (hydrogen-like atoms), to the perturbation by the external electromagnetic field in low particle kinetic energies region is studied.…
Single-molecule biosensing, with a promise of being applied in protein and DNA sequencing, could be achieved using tunneling current approach. Electrode-molecule-electrode tunneling current critically depends on whether molecular levels…
The system described in this work consists of a quantum dot inserted in a mesoscopic ring threaded by a magnetic flux. Our aim is to present a complete description for this device and to predict the physics of a experiment with these…
Based on the non-equilibrium Green's function (NEGF) technique and the Landauer-B\"{u}ttiker theory, the possibility of a molecular spin-electronic device, which consists of a single C$_{60}$ molecule attached to two ferromagnetic…
The appealing feature of molecular electronics is the possibility of exploiting functionality built within a single molecule. This functionality can be employed, for example, for sensing or switching purposes. Thus, ideally, the associated…
We study the effects of gating and contact geometry on current through self-assembled monolayers of conjugated molecules strongly coupled to gold electrodes by sulfur ``anchor groups''. The current changes by more than an order of magnitude…
A GaAs/AlGaAs based two-qubit quantum device that allows the controlled generation and straightforward detection of entanglement by measuring a stationary current-voltage characteristic is proposed. We have developed a two-particle Green's…
Using the recursive Green's function technique, we study the coherent electron conductance of a quantum point contact in the presence of a scanning probe microscope tip. Images of the coherent fringe inside a quantum point contact for…
Thermoelectric effects in a quantum dot coupled to the source and drain charge reservoirs are explored using a nonequilibrium Green's functions formalism beyond the Hartree-Fock approximation. Thermal transport is analyzed within a linear…
We derive expressions for the electromagnetic Green's function for a layered system using a transfer matrix technique. The expressions we arrive at makes it possible to study symmetry properties of the Green's function, such as reciprocity…
We investigate transport properties of molecular junctions under two types of bias--a short time pulse or an AC bias--by combining a solution for the Green functions in the time domain with electronic structure information coming from ab…
The single electron Green's function of the one-dimensional Tomonaga-Luttinger model in the presence of open boundaries is calculated with bosonization methods. We show that the critical exponents of the local spectral density and of the…