Related papers: Current rectification by molecules with asymmetric…
It is well known that conductivity of disordered metals is suppressed in the limit of low frequencies and temperatures by quantum corrections. Although predicted by theory to exist up to much higher energies, such corrections have so far…
The dc response of an electrochemical thin film, such as the separator in a micro-battery, is analyzed by solving the Poisson-Nernst-Planck equations, subject to boundary conditions appropriate for an electrolytic/galvanic cell. The model…
We study a model electrochemical thin film at dc currents exceeding the classical diffusion-limited value. The mathematical problem involves the steady Poisson-Nernst-Planck equations for a binary electrolyte with nonlinear boundary…
The transport properties of serially coupled quantum dots (SCQDs) embedded in a matrix connected to metallic electrodes are theoretically studied in the linear and nonlinear regimes. The current rectification and negative differential…
Molecular spintronics is made possible by the coupling between electronic configuration and magnetic po- larization of the molecules. For control and application of the individual molecular states it is necessary to both read and write…
By judicious use of extrapolations to the 1-particle basis set limit and $n$-particle calibration techniques, total atomization energies of molecules with up to four heavy atoms can be obtained with calibration accuracy (1 kJ/mol or better,…
The phenomenon of Euclidean resonance (a strong enhancement of quantum tunneling through a nonstationary potential barrier) is applied to disintegration of atoms and molecules through tunnel barriers formed by applied constant and…
We outline the qualitatively different physics behind charging-induced current asymmetries in molecular conductors operating in the weakly interacting self-consistent field (SCF) and the strongly interacting Coulomb Blockade (CB) regimes. A…
Tunnelling between non-centrosymmetric superconductors with significant spin-orbit splitting is studied theoretically in a two-band treatment of the problem. We find that the critical Josephson current may be modulated by changing the…
Electron transmission through chiral molecules induced by circularly polarized light can be very different for mirror-image structures, a peculiar fact given that the electronic energy spectra of the systems are identical. We propose that…
Rescattering electrons offer great potential as probes of molecular properties on ultrafast timescales. The most famous example is molecular tomography, in which high harmonic spectra of oriented molecules are mapped to ``tomographic…
We recalculate the leading relativistic corrections for the ground electronic state of the hydrogen molecule using variational method with explicitly correlated functions which satisfy the interelectronic cusp condition. The new…
Carbon nanotube Schottky diodes have been fabricated in an all-photolithographic process using dissimilar contact metals on high-frequency compatible substrates (quartz and sapphire). Diodes show near-ideal behavior, and rectify currents of…
Molecular conduction channels between two ferromagnetic electrodes can produce strong exchange coupling and dramatic effect on the spin transport, thus enabling the realization of novel logic and memory devices. However, fabrication of…
The coupling of spin-orbit materials to high energy barrier ($\sim$40-60 $k_BT$) nano-magnets has attracted growing interest for exciting new physics and various spintronic applications. We predict that a coupling between the spin-momentum…
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…
The rotational constant parametrizes the relative spacing between a molecule's rotational energy levels. It depends on the molecule's classical moments of inertia, which, in all studies, are expressed by treating the constituent nuclei as…
Molecular electronics on silicon has distinct advantages over its metallic counterpart. We describe a theoretical formalism for transport through semiconductor-molecule heterostructures, combining a semi-empirical treatment of the bulk…
Molecular vibrational transitions are prime candidates for model-independent searches for variation of the proton-to-electron mass ratio. Searches for present-day variation achieve highest sensitivity with deep molecular potentials. We…
We propose an objective and robust method to extract the electrical conductance of single molecules connected to metal electrodes from a set of measured conductance data. Our method roots in the physics of tunneling and is tested on…