Related papers: Nuclear wave function interference in single-molec…
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable properties. Here, we combine ab initio molecular dynamics…
We report on inelastic electron tunneling spectroscopy measurements carried out on single molecules incorporated into a mechanically controllable break-junction of Au and Pt electrodes at low temperature. Here we establish a correlation…
The appealing feature of molecular electronics is the possibility of exploiting functionality built within a single molecule. This functionality can be employed, for example, for sensing or switching purposes. Thus, ideally, the associated…
The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green's function methods.…
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…
Quantum transport theory is used to calculate the nucleon spectral function in infinite nuclear matter. A self-consistent description is obtained by utilizing the relations between collision rates and correlation functions. Static and…
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…
Modeling lepton-nucleus scattering with the accuracy required to extract neutrino-oscillation parameters from long- and short-baseline experiments necessitates retaining most quantum-mechanical effects. One such effect is the interference…
We present an extension of the tunneling theory for scanning tunneling microcopy (STM) to include different types of vibrational-electronic couplings responsible for inelastic contributions to the tunnel current in the strong-coupling…
The subject of this study is spin transport through a molecular orbital connected to two leads, and coupled via exchange interaction with a precessing anisotropic molecular spin in a constant magnetic field. The inelastic spin-flip…
The electron transport properties of a four-terminal molecular device are computed within the framework of density functional theory and non-equilibrium Keldysh theory. The additional two terminals lead to new properties, including a…
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…
By introducing concepts of beam shaping into quantum mechanics, we show how interference effects of the quantum wavefunction describing multiple electrons can exactly balance the repulsion among the electrons. With proper shaping of the…
The nonperturbative nature of inter-nucleon interactions is explored by varying the momentum cutoff of a two-nucleon potential. Conventional force models, which have large cutoffs, are nonperturbative because of strong short-range…
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the non-equilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green…
We study electron transport properties of some molecular wires and a unconventional disordered thin film within the tight-binding framework using Green's function technique. We show that electron transport is significantly affected by…
We consider electronic transport through break-junctions bridged by a single molecule in the Kondo regime. We describe the system by a two-channel Anderson model. We take the tunneling matrix elements to depend on the position of the…
The voltage dependence of nanoelectromechanical effects in a system where the quantized mechanical vibrations of a quantum dot are coupled to coherent tunneling of electrons through a single level in the dot is studied. It is found that…
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…
The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…