Related papers: Multi-terminal Molecular Wire Systems: A Self-cons…
Molecular wires (MW) are the fundamental building blocks for molecular electronic devices. They consist of a molecular unit connected to two continuum reservoirs of electrons (usually metallic leads). We rely on Landauer theory as the basis…
In this paper we address the topic of inelastic electron scattering in mesoscopic quantum transport. For systems where only elastic scattering is present, Landauer theory provides an adequate description of transport that relates the…
We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to…
Charge transport through molecular junctions is often described either as a purely coherent or a purely classical phenomenon, and described using the Landauer-B\"uttiker formalism or Marcus theory, respectively. Using a generalised quantum…
We present a theory of the four--terminal conductance for the multi-channel tunneling barrier, which is based on the self-consistent solution of Shrodinger, Poisson and continuity equations. We derive new results for the case of a barrier…
We treat the spin injection and extraction via a ferromagnetic metal/semiconductor Schottky barrier as a quantum scattering problem. This enables the theory to explain a number of phenomena involving spin-dependent current through the…
We have studied the bound states of the extra electron in a molecular wire, corresponding to the physical situation of the electron tunneling through the wire. Based on formalism of the scattering operator that accounts for many-electron…
Marcus and Landauer-Buttiker approaches to charge transport through molecular junctions describe two contrasting mechanisms of electronic conduction. In previous work, we have shown how these charge transport theories can be unified in the…
Here we propose four-terminal molecular devices as functional logic gates (AND, NOR and XOR, respectively). Such devices are composed of single organic molecule connected to gold electrodes and located in between gate terminals.…
We solve the Lippmann-Schwinger equation describing elastic scattering of preformed pairs (e.g. bipolarons) off a short-range scattering center and find the two-particle transmission through a thin potential barrier. While the pair…
We present a theory of tunneling and resonant transitions in one-dimensional molecular systems which is based on Green's function theory of electron sub-barrier scattering off the structural units (or functional groups) of a molecular…
We present a quaternion-inspired formalism specifically developed to evaluate the electric current that traverses a single molecule subjected to an externally applied voltage. The molecule of interest is covalently connected to two small…
This paper presents a method for determining the conductance matrix of multi terminal semiconductor structures with edge channels. This method appears to be applied within frameworks of the ordinary Landauer - uttiker formalism for the…
Here we study incoherent transport through molecular wire treated as a linear chain of absorbers, where the phase-breaking processes are modeled by the use of imaginary point-like potentials. The calculations are performed within a…
We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This "Landauer-B\"uttiker's probe technique" can properly…
We study a gated quantum wire contacted to source and drain electrodes in the Fabry-Perot regime. The wire is also coupled to a third terminal (tip), and we allow for an asymmetry of the tip tunneling amplitudes of right and left moving…
We present analytic and numerical studies based on Landauer theory of conductance antiresonances of molecular wires. Our analytic treatment is a solution of the Lippmann-Schwinger equation for the wire that includes the effects of the…
We present a technique to calculate the transport properties through one-dimensional models of molecular wires. The calculations include inelastic electron scattering due to electron-lattice interaction. The coupling between the electron…
The electronic conduction of a novel, three-terminal molecular architecture, analogous to a heterojunction bipolar transistor is studied. In this architecture, two diode arms consisting of donor-acceptor molecular wires fuse through a ring,…
In this paper,we present a detailed formulation to solve the scattering wave function for a multi-terminal mesoscopic system with spin-orbit coupling. In addition to terminal currents, all local quantities can be calculated explicitly by…