相关论文: Intermolecular Effect in Molecular Electronics

In transport calculations for molecular junctions based on density functional theory the choice of exchange and correlation functional may dramatically affect the results. In particular local and semi-local functionals tend to…

We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions. We consider a model single-molecule nanojunction in the presence of two kinds of electron-vibron interactions.…

Multi-layer graphene on the carbon face of silicon carbide is an intriguing electronic system which typically consists of a stack of ten or more layers. Rotational stacking faults in this system dramatically reduce inter-layer coherence. In…

We consider electrical transport through molecules with Heisenberg-coupled spins arranged in a ring structure in the presence of an easy-axis anisotropy. The molecules are coupled to two metallic leads and a gate. In the charged state of…

We consider several fundamental optical phenomena involving single molecules in biased metal-molecule-metal junctions. The molecule is represented by its highest occupied and lowest unoccupied molecular orbitals, and the analysis involves…

Electron transport properties through single conjugated molecules sandwiched between two non-superconducting electrodes are studied by the use of Green's function technique. Based on the tight-binding model, we do parametric calculations to…

We investigate the problem of the electron interacting with the charge induced on the metal or dielectric surface. We show that the interaction between the electron and the induced surface charge leads to the lateral confinement of the…

The effects of long-range interactions in quantum transport are still largely unexplored, mainly due to the difficulty of devising efficient embedding schemes. In this work we present a substantial progress in the interacting resonant level…

Two infinite, two-dimensional, lattice, free fermion systems, initially in different invariant states, are allowed to communicate via two point contacts, through which direct tunneling of fermions takes place. Calculations of the local…

Molecules of bisthiolterthiophene have been adsorbed on the two facing gold electrodes of a mechanically controllable break junction in order to form metal-molecule(s)-metal junctions. Current-voltage (I-V) characteristics have been…

Exchange interaction strongly influences the long-range behaviour of localised electron orbitals and quantum tunneling amplitudes. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual…

Studies of angle-dependent magnetoresistance oscillations (AMRO) in the interlayer conductivity of layered metals have generally considered semi-classical electron transport. We consider a quantum correction to the semi-classical…

The conductance through a serial double dot structure for which the inter-dot tunneling is stronger than the tunneling to the leads is studied using the numerical density matrix renormalization group method and analytic arguments. When the…

We investigate the nonequilibrium transport properties of a double quantum dot system connected in parallel to two leads, including intradot electron-electron interaction. In the absence of interactions the system supports a bound state in…

Electron transport through a single-level quantum dot weakly coupled to Luttinger liquid leads is considered in the master equation approach. It is shown that for a weak or moderately strong interaction the differential conductance…

We study the Kondo effect in a quantum dot coupled to half-metallic ferromagnetic electrodes in the regime of strong on-dot correlations. Using the equation of motion technique for nonequilibrium Green functions in the slave boson…

We present a theory of non-equilibrium superconducting proximity effect in an interacting quantum dot induced by a time-dependent tunnel coupling between dot and a superconducting lead. The proximity effect, that is established when the…

We analyze non-equilibrium current transport in molecular electronic devices, using as an example devices formed by two terphenyl dithiol molecules attached to gold electrodes. Using a first-principles based self-consistent matrix Green's…

Based on the matrix Green's function method combined with hybrid tight-binding / density functional theory, we calculate the conductances of a series of gold-dithiol molecule-gold junctions including benzenedithiol (BDT),…

We consider a lateral double-dot system in the Coulomb blockade regime with a single spin-1/2 on each dot, mutually coupled by an anti-ferromagnetic exchange interaction. Each of the two dots is contacted by two leads. We demonstrate that…