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Advances in the fabrication and characterization of nanoscale systems now allow for a deeper understanding of one of the most basic issues in science and technology: the flow of energy at the microscopic level. In this Colloquium we survey…
Negative differential resistance - a decrease in current with increasing bias voltage - is a counter-intuitive effect that is observed in various molecular junctions. Here, we present a novel mechanism that may be responsible for such an…
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We…
The theory of dynamical Coulomb blockade is extended to tunneling elements driven by a time-dependent voltage. It is shown that for standard set-ups where an external voltage is applied to a tunnel junction via an impedance, time-dependent…
We determine the zero-frequency charge current noise in a metal-molecule-metal junction embedded in a thermal environment, e.g., a solvent, dominated by sequential charge transmission described by a classical master equation, and study its…
Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the…
To assist the design of novel, highly efficient molecular junctions, a deep understanding of the precise charge transport mechanisms through these devices is of prime importance. In the present contribution, we describe a procedure to…
A deep understanding of the correlation between electronic and mechanical degrees of freedom is crucial to the development of quantum devices in a nanoelectromechanical system (NEMS). In this work, we first establish a fully quantum…
Colloidal nanocrystal quantum dots (QD) enable the bottom-up assembly of designer solids. Among the multitudinous applications of QD solids, there has been great success in exploiting the tunable optical properties for LED displays,…
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 present general first principles derivation of expression for current-induced forces. The expression is applicable in non-equilibrium molecular systems with arbitrary intra-molecular interactions and for any electron-nuclei coupling. It…
Superconducting systems may display different types of nonequilibrium states depending on the specific constraints imposed for measurement. We probe current-voltage relations of three-dimensional superconducting films by allowing finite…
We investigate an optimal regime of negative-valued conductance, emerging in a resistively and capacitively shunted Josephson junction, which is driven simultaneously by both, a time-periodic (ac) and a constant (dc) current. We analyze the…
It is often intriguing experimentally to take stock of how conformational changes in the device configuration may impact the overall charge transport behavior of single-molecule junctions. Based on the allied approach of density functional…
A brief review of the nanoscale free-electron model of metal nanowires is presented. This continuum description of metal nanostructures allows for a unified treatment of cohesive and conducting properties. Conductance channels act as…
We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic…
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…
We consider a molecular junction immersed in a solvent where the electron transfer is dominated by Marcus-type steps. However, the successive nature of the charge transfer through the junction does not imply that the solvent reach thermal…
The analytical theory for the voltage-current characteristics of the large inductance (L>100 pH) high-T_c DC SQUIDs that has been developed previously is consistently compared with the computer simulations and the experiment. The…
We investigate coherent electron transport through a parallel circuit of two quantum dots, each of which has a single tunable energy level. Electrons tunneling via each dot from the left lead interfere with each other at the right lead. It…