Related papers: Charge transfer through single molecule contacts: …

This article reviews the theory of electron-phonon interactions in solids from the point of view of ab-initio calculations. While the electron-phonon interaction has been studied for almost a century, predictive non-empirical calculations…

A rate equation formalism is used to determine the effect of electron-phonon coupling on the conductance of a molecule. Interplay between the phonon-induced renormalization of the density of states on the quantum dot and the phonon-induced…

Tunnel transport processes are considered in a square lattice of metallic nanogranules embedded into insulating host to model tunnel conduction in real metal/insulator granular layers. Based on a simple model with three possible charging…

We consider nanowires in the field effect transistor device configuration. Modeling each nanowire as a one dimensional lattice with random site potentials, we study the heat exchanges between the nanowire electrons and the substrate…

While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…

A solid ionic conductor with cation conductivity in the interelectrode region is studied. Due to their large size, the anions are considered fixed and form a homogeneous neutralizing electric background. The model can be used to describe…

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…

Efficient manipulation of energy at the nanoscale is crucial for advancements in modern computing, energy harvesting, and thermal management. Specifically, controlling quasiparticle currents is critical to these ongoing technological…

I present a theory of electron dynamics in semiconductors with slowly varying composition. I show that the frequency-dependent conductivity, required for the description of transport and optical properties, can be obtained from a knowledge…

Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from…

Understanding electron transfer in organic molecules is of great interest in quantum materials for light harvesting, energy conversion, and integration of molecules into solar cells. This, however, poses the challenge of designing specific…

Nanomechanics, nanoacoustics, and nanophononics refer to the engineering of acoustic phonons and elastic waves at the nanoscale and their interactions with other excitations such as magnons, electrons, and photons. This engineering enables…

Electrons floating on the surface of liquid helium are possible qubits for quantum information processing. Varying electric potentials do not modify spin states, which allows their transport on helium using a charge-coupled device…

Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…

We present a systematic ab-initio study of the length dependence of the thermopower in molecular junctions. The systems under consideration are small saturated and conjugated molecular chains of varying length attached to gold electrodes…

The nonequilibrium dynamics of carriers and phonons in graphene is investigated by solving the microscopic kinetic equations with the carrier-phonon and carrier-carrier Coulomb scatterings explicitly included. The Fermi distribution of hot…

In a CMOS image sensor pixel, fast and complete charge transfer from pinned photodiode (PPD) is desired and necessary in some applications. In special cases such as time-of-flight imaging or large pinned photodiodes, the PPD potential well…

The electronic and transport properties of atomic-size contacts are analyzed theoretically using a self-consistent tight-binding model. Our results show that, for s-like metals, a sufficiently narrow contact exhibits well defined resonant…

A theoretical approach for the non-equilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented. It consists in a resummation of the dominant Feynman diagrams…

Inspired by Nature, molecular communications (MC), i.e., use of molecules to encode, transmit and receive information, stands as the most promising communication paradigm to realize nanonetworks. Even though there has been extensive…