Related papers: Negative differential resistance in molecular junc…
Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…
Electronegativity is shown to control charge transfer, energy level alignments, and electron currents in single molecule tunnel junctions, all of which are governed by correlations contained within the density matrix. This is demonstrated…
Unlike junctions in solid-state devices, a plasma-metal junction (pm-junction) is a junction of classical and quantum electrons. The plasma electrons are Maxwellain in nature, while metal electrons obey the Fermi-Dirac distribution. In this…
The interrelationship between a material's structure and its properties lies at the heart of materials-related research. Finding how the changes of one affect the other is of primary importance in theoretical and computational materials…
We present calculations of spin-dependent electron transport through single organic molecules bridging pairs of iron nanocontacts. We predict the magnetoresistance of these systems to switch from positive to negative with increasing applied…
Two-dimensional (2D) crystals, such as graphene, hexagonal boron nitride and transitional metal dichalcogenides, have attracted tremendous amount of attention over the past decade due to their extraordinary thermal, electrical and optical…
Electron transport through a nanostructure can be characterized in part using concepts from classical fluid dynamics. It is thus natural to ask how far the analogy can be taken, and whether the electron liquid can exhibit nonlinear…
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…
Redox molecular junctions are molecular conduction junctions that involve more than one oxidation state of the molecular bridge. This property is derived from the ability of the molecule to transiently localize transmitting electrons,…
We report first-principles calculations of the inelastic current-voltage (I-V) characteristics of a gold point contact and a molecular junction in the nonresonant regime. Discontinuities in the I-V curves appear in correspondence to the…
We propose a model for a molecular junction with internal anharmonic torsional vibrations interacting with an electric current. The Wangsness-Bloch-Redfield master equation approach is used to determine the stationary reduced density matrix…
We theoretically study transport in two-dimensional semimetals. Typically, electron and hole puddles emerge in the transport layer of these systems due to smooth fluctuations in the potential. We calculate the electric response of the…
Using time-dependent current-density functional theory, we derive analytically the dynamical exchange-correlation correction to the DC conductance of nanoscale junctions. The correction pertains to the conductance calculated in the…
Spin-dependent transport through two coupled single-level quantum dots weakly connected to ferromagnetic leads with collinear magnetizations is considered theoretically. Transport characteristics, including the current, linear and nonlinear…
Spin-charge states of correlated electrons in a one-dimensional quantum dot attached to interacting leads are studied in the non-linear transport regime. With non-symmetric tunnel barriers, regions of negative differential conductance…
The tunneling spectra of small metallic grains shows an unusual structure of the differential conductance peaks. Namely, resonance peaks appear in clusters, or develop substructure as the the gate voltage is changed. These features are…
Structural disorder is present in almost all experimental measurements of electronic transport through single molecules or molecular wires. To assess its influence on the conductance is computationally demanding, because a large number of…
We study a series array of nonlinear electrical circuit elements that possess negative differential resistance and find that \emph{heterogeneity} in the element properties leads to the presence of multiple branches in current-voltage curves…
Asymmetric double tunnel barriers with the center electrode being a metal cluster in the quantum regime are studied. The zero dimensionality of the clusters used and the associated quantized energy spectra are manifest in well-defined steps…
We determine the conditions in which negative differential resistance (NDR) appears in the C$_{60}$-based molecular device of [Phys. Rev. Lett. {\bf 100}, 036807 (2008)] by means of ab-initio electron-transport simulations. Our calculations…