Related papers: Current rectification by asymmetric molecules: An …
We present a quaternion inspired formalism specifically developed to evaluate the intensity of the electrical current that traverses a single molecule connected to two semi-infinite electrodes as the applied external bias is varied. The…
We study the Aharonov-Bohm effect in a coupled 2$\times$2 quantum dot array with two-terminals. A striking conductance dip arising from the Fano interference is found as the energy levels of the intermediate dots are mismatched, which is…
We study the magnetic field dependences of the conductivity in heavily doped, strongly disordered 2D quantum well structures within wide conductivity and temperature ranges. We show that the exact analytical expression derived in our…
The second-order nonlinear Hall effect illuminates a frequency-doubling transverse current emerging in quantum materials with broken inversion symmetry even when time-reversal symmetry is preserved. This nonlinear response originates from…
By using nonequilibrium Green's functions and the equation of motion method, we formulate a self-consistent field theory for the electron transport through a single molecular junction (SMJ) coupled with a vibrational mode. We show that the…
We compute inclusive electron-nucleus cross sections using ab initio spectral functions of $^4$He and $^{16}$O obtained within the Self Consistent Green's Function approach. The formalism adopted is based on the factorization of the…
Experimental measurements of electron transport properties of molecular junctions are often performed in solvents. Solvent-molecule coupling and physical properties of the solvent can be used as the external stimulus to control electric…
Molecules in molecular junctions are subject to current-induced forces that can break chemical bonds, induce reactions, destabilize molecular geometry, and halt the operation of the junction. Theories behind current-driven molecular…
We measure the rectified dc currents resulting when a 3-terminal semiconductor device with gate-dependent conductance is driven with an ac gate voltage. The rectified currents exhibit surprisingly complex behaviour as the dc source-drain…
The relativistic recoil contributions to the Uehling corrections are revisited. We consider a controversy in recent calculations based on different approaches including Breit-type and Grotch-type calculations. We have found that…
With recent advances in the areas of nanostructure fabrication and molecular spintronics the idea of using single molecule magnets as building blocks for the next generation electronic devices becomes viable. A particular example represents…
The coupling of the charge carriers passing through a molecule bridging two bulky conductors with local vibrational modes of the molecule, gives rise to distinct features in the electronic transport properties on one hand, and to…
We investigate the behavior of relativistic electrons encountering a potential step through analogies with optical phenomena. By accounting for the conservation of Dirac current, we elucidate that the Goos-H\"anchen shift can be understood…
Wavefunctions restricted to electron-pair states are promising models to describe static/nondynamic electron correlation effects encountered, for instance, in bond-dissociation processes and transition-metal and actinide chemistry. To reach…
Exact analytical formulas are derived, by means of Keldysh Green functions, for currents and current correlation functions in a Cooper pair splitter modelled on a double quantum dot system coherently coupled to a superconductor and two…
An integrated piecewise thermal equilibrium approach based on the first-principles calculation method has been developed to calculate bias dependent electronic structures and current- and differential conductance-voltage characteristics of…
In this work, we review and expand recent theoretical proposals for the realization of electronic thermal diodes based on tunnel-junctions of normal metal and superconducting thin films. Starting from the basic rectifying properties of a…
When an electron or a hole is added into an orbital of an adsorbed molecule the substrate electrons will rearrange in order to screen the added charge. This results in a reduction of the electron addition/removal energies as compared to the…
A current constrained approach is proposed to calculate negative differential conductance in molecular nano-junctions. A four-site junction is considered where a steady-state current is forced by inserting only the two central sites within…
The effect on molecular transport due to chemical modification of the metal-molecule interface is investigated, using as an example the prototypical molecular device formed by attaching a p-disubstituted benzene molecule onto two gold…