Related papers: Resonant transport and electrostatic effects in si…
Electrical and thermal transport properties of C60 molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom…
Using a break junction technique, we find a clear signature for the formation of conducting hybrid junctions composed of a single organic molecule (benzene, naphthalene or anthracene) connected to chains of platinum atoms. The hybrid…
Electronic conduction through single molecules is affected by the molecular electronic structure as well as by other information that is extremely difficult to assess, such as bonding geometry and chemical environment. The lack of an…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…
We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…
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…
Electronic transport properties for single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions or by means of scanning tunneling…
We consider lattice dynamics with a small stochastic perturbation of order ε and prove that for a space-time scale of order \varepsilon\^-1 the local spectral density (Wigner function) evolves according to a linear transport equation…
We have investigated charge transport in ultrasmall superconducting single and double Josephson junctions coupled to resonant modes of the electromagnetic environment. We observe pronounced current peaks in the transport characteristics of…
The role of electron-electron interaction in transport properties of open quantum dots is studied. The self-consistent full quantum mechanical magnetotransport calculations within the Hartree, Density Functional Theory and Thomas-Fermi…
We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can…
We extend the Landauer-B\"uttiker probe formalism for conductances to the high bias regime, and study the effects of environmentally-induced elastic and inelastic scattering on charge current in single molecule junctions, focusing on…
The crystallization of charge carriers, dubbed the Wigner crystal, is anticipated at low densities in clean two-dimensional electronic systems (2DES). While there has been extensive investigation across diverse platforms, probing…
We develop a detailed microscopic analysis of electron transport in normal diffusive conductors in the presence of proximity induced superconducting correlation. We calculated the linear conductance of the system, the profile of the…
We present first-principles calculations of the dI/dV characteristics of an H2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentage at…
Quantum interference can profoundly affect charge transport in single molecules, but experiments can usually measure only the conductance at the Fermi energy. Because in general the most pronounced features of the quantum interference are…
We study transport in two-terminal metal/quantum spin-Hall insulator (QSHI)/metal junctions. We show that the conductance signals originating from the bulk and the edge contributions are not additive. While for a long junction the transport…
We investigate the electron-transport properties of ethyne-bridged diphenyl zinc-porphyrin molecules suspended between gold (111) electrodes by first-principles calculations within the framework of density functional theory. It is found…
We study the resonances of $2\times 2$ systems of one dimensional Schr\"odinger operators which are related to the mathematical theory of molecular predissociation. We determine the precise positions of the resonances with real parts below…
Atomic-scale control of light-matter interactions represent the ultimate frontier for many applications in photonics and quantum technology. Two-dimensional semiconductors, including transition metal dichalcogenides, are a promising…