Related papers: Current rectification by asymmetric molecules: An …
We investigate a one-dimensional electron liquid with two point scatterers of different strength. In the presence of electron interactions, the nonlinear conductance is shown to depend on the current direction. The resulting asymmetry of…
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…
Shell corrections of the finite deformed Woods-Saxon potential are calculated using the Green's function method and the generalized Strutinsky smoothing procedure. They are compared with the results of the standard prescription which are…
We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based full ab initio description of the central region of the junction combined with a tight…
The electron transport properties of ZnO nano-wires coupled by two aluminium electrodes were studied by {\it ab initio} method based on non-equilibrium Green's function approach and density functional theory. A clearly rectifying…
A comprehensive review is presented of single molecule junction conductance measurements across families of molecules measured while breaking a gold point contact in a solution of molecules with amine end groups. A theoretical framework…
Density functional calculations for the electronic conductance of single molecules are now common. We examine the methodology from a rigorous point of view, discussing where it can be expected to work, and where it should fail. When…
The transport properties of a simple model for a finite level structure (a molecule or a dot) connected to metal electrodes in an alternating current scanning tunneling microscope (AC-STM) configuration is studied. The finite level…
We investigate Kondo correlations in a quantum dot with normal and superconducting electrodes, where a spin bias voltage is applied across the device and the local interaction $U$ is either attractive or repulsive. When the spin current is…
The holographic approach to the strange metal phase relies on near-extremal asymptotically AdS$_4$ electrically charged black branes with important input from their AdS$_2$ near-horizon throat geometry. Motivated by the current…
In Phys. Rev. Lett. 120, 200603 (2018), a segmented XXZ spin chain with zero anisotropy in one half and a large anisotropy on the other half gave rise to a spin current rectification which is perfect in the thermodynamic limit. Here we…
We present a weak-relativistic limit comparison between the Kohn-Sham-Dirac equation and its approximate form containing the exchange coupling, which is used in almost all relativistic codes of density-functional theory. For these two…
Ion transport in biological and synthetic nanochannels is characterized by such phenomena as ion current fluctuations, rectification, and pumping. Recently, it has been shown that the nanofabricated synthetic pores could be considered as…
Excitonic contributions to absorption and photocurrent generation in semiconductor nanostructures are described theoretically and simulated numerically using steady-state non-equilibrium Green's function theory. In a first approach, the…
We propose an approach allowing the computation of currents and their correlations in interacting multiterminal mesoscopic systems involving quantum dots coupled to normal and/or superconducting leads. The formalism relies on the expression…
We investigate the origin of asymmetry in the measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry. We establish that such molecules can exhibit asymmetric I-V characteristics due to unequal…
We investigate chemical bond formation and conductance in a molecular C60-junction under finite bias voltage using first-principles calculations based on density functional theory and nonequilibrium Green's functions (DFT-NEGF). At the…
In the linear regime, thermo-electric effects between two conductors are possible only in the presence of an explicit breaking of the electron-hole symmetry. We consider a tunnel junction between two electrodes and show that this condition…
Current-induced bond rupture is a fundamental process in nanoelectronic architectures such as molecular junctions and in scanning tunneling microscopy measurements of molecules at surfaces. The understanding of the underlying mechanisms is…
It is well known that conductivity of disordered metals is suppressed in the limit of low frequencies and temperatures by quantum corrections. Although predicted by theory to exist up to much higher energies, such corrections have so far…