Related papers: Thermoelectric voltage switching in gold atomic wi…
We have applied the Numerical Renormalization Group method to study a mesoscopic system consisting of two samples of metal separated by an insulating barrier, with nanometer dimensions, which allows the tunnelling of a single electron from…
We explore electron transport properties in a quantum wire attached to two metallic electrodes. A simple tight-binding model is used to describe the system and the coupling of the wire to the electrodes (source and drain) is treated through…
Electron-ion interactions play a central role for the energy relaxation processes and ultra-fast structure dynamics in laser-heated matter. The accurate prediction of the electron-ion energy exchange in a transient excited two-temperature…
For the metals Au, Pt and Ir it is possible to form freely suspended monatomic chains between bulk electrodes. The atomic chains sustain very large current densities, but finally fail at high bias. We investigate the breaking mechanism,…
Molecular junctions comprise small molecules on the order of one or a few nanometers in length, chemically attached to two electrodes of metal or semiconductors. They have recently been identified as promising candidates for…
A theoretical study is performed for the excitation of a single atom localized in the center of twisted light modes. Here we present the explicit dependence of excitation rates on critical parameters, such as the polarization of light, its…
We study inelastic vibration-assisted charge transfer effects in two-site molecular junctions, focusing on signatures of vibrational anharmonicity on the electrical characteristics and the thermoelectric response of the junction. We…
Using the Landauer formulation of transport theory and tight binding models of the electronic structure, we study electron transport through atomic wires that form 1D constrictions between pairs of metallic nano-contacts. Our results are…
Conductance switching has been reported in many molecular junction devices, but in most cases has not been convincingly explained. We investigate conductance switching in Pt/stearic acid monolayer/Ti devices using pressure-modulated…
The thermoelectric properties of a semiconduct quantum dot chain (SQDC) connected to metallic electrodes are theoretically investigated in the Coulomb blockade regime. An extended Hubbard model is employed to simulate the SQDC system…
We present an in-depth study of electronic transport in atomic-sized gold contacts using Break-Junction (BJ) techniques under cryogenic and ambient conditions. Our experimental results, supported by classical molecular dynamics (CMD)…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
Thermoelectric effects in $p-n$ junctions are widely used for energy generation with thermal gradients, creation of compact Peltier refrigerators and, most recently, for sensitive detection of infrared and terahertz radiation. It is…
We reveal the role of aurophilic interactions in the formation and conductance of gold cyanide molecular wires of variable length-to-width ratios assembled at the tip of an STM break junction in ambient conditions. Specifically, we identify…
We present a simplified, rapid, and accurate method for the measurement of the thermoelectric Thomson coefficient by the dynamical heating of a suspended wire by an alternating current. By applying a temperature gradient across the wire, we…
We propose a mechanism for nanoscale energy conversion, an electric voltage induced by a temperature gradient in a junction composed of the same material having exactly the same geometric sizes, but distinct shapes. The proposed effect…
We present theoretical studies of temperature dependent diamagnetic-paramagnetic transitions in thin quantum rings. Our studies show that the magnetic susceptibility of metal/semiconductor rings can exhibit multiple sign flips at…
Recent I/V curve measurements suggest that C60 molecules deposited in gold nanojunctions change their adsorption configuration when a finite voltage in a 2-terminal setting is applied. This is of interest for molecular electronics because a…
First principle calculations of the conductance of gold wires containing 3-8 atoms each with 2.39 {\AA} bond length were performed using density functional theory. Three different configuration of wire/electrodes were used. For zigzag wire…
We propose a junction of metal and rare-earth compound semiconductor as the basis for a possible efficient low-temperature thermoelectric device. If an overlayer of rare earth atoms differing from the bulk is placed at the interface, very…