Related papers: Vibronic effects on resonant electron conduction t…
Low-temperature three-terminal transport measurements through a thiol end-capped Pi -conjugated molecule have been carried out. Electronic excitations, including zero and finite-bias Kondo-effects have been observed and studied as a…
We study the effect of the electron-phonon coupling on vibrational eigenmodes of nano- and micro-mechanical systems made of semiconductors with equivalent energy valleys. We show that the coupling can lead to a strong mode nonlinearity. The…
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…
We have shown that the electron transport through junctions of one-dimensional and two-dimensional systems, as well as through quantum point contacts, is considerably affected by the interaction of electrons of different subbands. The…
We investigate the effects of lateral interactions on the conductance of two molecules connected in parallel to semi-infinite leads. The method we use combines a Green function approach to quantum transport with density functional theory…
We theoretically analyze the spectrum of a magnetic molecule when its charge and spin can couple to the molecular vibrations. More specifically, we show that the interplay between charge-vibron and spin-vibron coupling leads to a…
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…
The connection between molecular vibrations and spin polarization in charge transport through molecular junctions is currently a topic of high interest, with important consequences for a variety of phenomena, such as chirality-induced spin…
We study the influence of structural lattice fluctuations on the elastic electron transport in single-wall carbon nanotubes within a density-functional-based scheme. In the linear response regime, the linear conductance is calculated via…
The exploring and understanding the electronic properties of molecules connected to metallic leads is a vital part of nanoscience if molecule is to have a future. This thesis documents a study for various families of organic and…
Molecular electronics offers unique scientific and technological possibilities, resulting from both the nanometre scale of the devices and their reproducible chemical complexity. Two fundamental yet different effects, with no classical…
Antiferromagnetism couples electron spin to its orbital motion, thus allowing excitation of electron-spin transitions by an ac electric rather than magnetic field - with absorption, exceeding that of common electron spin resonance at least…
The quantum nonlinear dimer consisting of an electron shuttling between the two sites and in weak interaction with vibrations, is studied numerically under the application of a DC electric field. A field-induced resonance phenomenon between…
We consider plane junctions with graphene electrodes, which are formed by a single-level system ("molecule") placed between the edges of two single-layer graphene half planes. We calculate the edge Green functions of the electrodes and the…
Molecular-scale components are expected to be central to nanoscale electronic devices. While molecular-scale switching has been reported in atomic quantum point contacts, single-molecule junctions provide the additional flexibility of…
In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…
We study the transport through a molecular junction exhibiting interference effects. We show that these effects can still be observed in the presence of molecular vibrations if Coulomb repulsion is taken into account. In the Kondo regime,…
The interplay between vibrational modes and Kondo physics is a fundamental aspect of transport properties of correlated molecular conductors. We present theoretical results for a single molecule in the Kondo regime connected to left and…
We study coherent phonon transport through organic, \pi-conjugated molecules. Using first principles calculations and Green's function methods, we find that the phonon transmission function in cross-conjugated molecules, like meta-connected…
Effects due to the proximity of a superconductor has motivated a lot of research work in the last several decades both from theoretical and experimental point of view. In this review we are going to describe the physics of systems…