Related papers: First-Principles Electron Transport with Phonon Co…
Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…
We investigate the spinless Anderson-Holstein model routinely employed to describe the basic physics of phonon-assisted tunneling in molecular devices. Our focus is on small to intermediate electron-phonon coupling; we complement a recent…
We provide a theory for the effects of polarons and phonons in mediating and suppressing the quantum tunneling of electrons into single molecules of conducting polymers, motivated by experiments on molecular quantum dots. The effects of…
While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…
Tunneling two level systems affect damping, noise and decoherence in a wide range of devices, including nanoelectromechanical resonators, optomechanical systems, and qubits. Theoretically this interaction is usually described within the…
The electrical conductivity of a macroscopic assembly of nanomaterials is determined through a complex interplay of electronic transport within and between constituent nano-objects. Phonons play dual roles in this situation: their increased…
We study an electron that interacts with phonons or other linear or nonlinear excitations as it resonantly tunnels. The method we use is based on mapping a many-body problem in a large variational space exactly onto a one-body problem. The…
Our objective is to study resonant tunneling of an electron in the presence of inelastic scattering by optical phonons. Using a recently developed technique, based on exact mapping of a many-body problem onto a one-body problem, we compute…
Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their thermal transport behaviors. These properties also impact…
With the rapid advances in the development of nanotechnology, nowadays, the sizes of elementary unit, i.e. transistor, of micro- and nanoelectronic devices are well deep into nanoscale. For the pursuit of cheaper and faster nanoscale…
We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…
Electron and phonon correlations in systems of one-dimensional electrons coupled to phonons are studied at low temperatures by emphasizing on the effect of electron-phonon backward scattering. It is found that the $2k_F$-wave components of…
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…
The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…
We consider the Kondo tunneling induced by multiphonon emission/absorption processes in magnetic molecular complexes with low-energy singlet-triplet spin gap and show that the number of assisting phonons may be changed by varying the Zeeman…
Computing thermal transport from first-principles in UO$_2$ is complicated due to the challenges associated with Mott physics. Here we use irreducible derivative approaches to compute the cubic and quartic phonon interactions in UO$_2$ from…
A resolvent formalism is applied to the problem of inelastic scattering of an electron linearly coupled to a set of phonon modes. It is shown how the many phonon mode coupling and excitation can be reduced to a single phonon mode…
We employ the functional renormalization group to study the effects of phonon-assisted tunneling on the nonequilibrium steady-state transport through a single level molecular quantum dot coupled to electronic leads. Within the framework of…
Nanoscale defects such as dislocations, have a significant impact on the phonon thermal transport properties in non-metallic materials. To unravel these effects, understanding of defect phonon modes is essential. Herein, at the atomic…
We present a theory of the phonon-assisted nonlinear dc transport of 2D electrons in high Landau levels. The nonlinear dissipative resistivity displays quantum magneto-oscillations governed by two parameters which are proportional to the…