Related papers: First-Principles Electron Transport with Phonon Co…
We investigate phonon transport in perovskite strontium titanate (SrTiO3) which is stable above its phase transition temperature (~105 K) by using first-principles molecular dynamics and anharmonic lattice dynamics. Unlike conventional…
The behavior of charge carriers in polar materials is governed by electron-phonon interactions, which affect their mobilities via phonon scattering and may localize carriers into self-induced deformation fields, forming self-trapped…
Two-dimensional (2D) semiconductors are promising channel materials for next-generation field-effect transistors (FETs) thanks to their unique mechanical properties and enhanced electrostatic control. However, the performance of these…
Phonon surface scattering has been at the core of heat transport engineering in nanoscale structures and devices. Herein, we demonstrate that this phonon pathway can be the sole mechanism only below a characteristic, size-dependent…
Electron-phonon coupling (EPC) is fundamental for understanding the behavior of molecules and crystals, influencing phenomena such as charge transport, energy transfer, phase transitions, and polaron formation. Accurate computational…
The presence of topological defects in a material can modify its electrical, acoustic or thermal properties. However, when a group of defects is present, the calculations can become quite cumbersome due to the differential equations that…
By sculpting the magnetic field applied to magneto-acoustic materials, phonons can be used for information processing. Using a combination of analytic and numerical techniques, we demonstrate designs for diodes (isolators) and transistors…
Impressive advances in the field of molecular spintronics allow one to study electron transport through individual magnetic molecules embedded between metallic leads in the purely quantum regime of single electron tunneling. Besides…
Phonon localization is a phenomenon that influences numerous material properties in condensed matter physics. Anderson localization brings rise to localized atomic-scale phonon interferences in disordered lattices with an influence limited…
Describing electron-phonon interactions in a solid requires knowledge of the electron-phonon matrix elements in the Hamiltonian. State-of-the-art first-principles calculations for the electron-phonon interaction are limited to the…
Transport through molecular quantum dots coupled to a single vibration mode is studied in the case with strong coupling to the leads. We use an expansion in the correlation between electrons on the molecule and electrons in the leads and…
Tunnel transitions between various distorted states of impurity centers in crystals with the E$ \times $e Jahn-Teller effect are considered, taking into account changes in the dynamics of phonons caused by this effect. Both linear and…
We present an \emph{ab initio} study of the role of interference effects in the thermal conductance of single-molecule junctions. To be precise, using a first-principles transport method based on density functional theory, we analyze the…
As one simple metamaterial, nanopatterns are often fabricated across a thin film so that the thermal transport can be manipulated. The etched sidewalls for these nanostructures are usually rough due to surface defects introduced during the…
We report on electron transport through an artificial molecule formed by two tunnel coupled quantum dots, which are laterally confined in a two-dimensional electron system of an Al$_x$Ga$_{1-x}$As/GaAs heterostructure. Coherent molecular…
We propose phonon spectroscopy by electric measurements of the low-temperature conductance of coupled-quantum dots, specifically employing dephasing of the quantum electronic transport by the phonons. The setup we consider consists of a…
Thermal transport by phonons in films with thicknesses of less than 10 nm is investigated in a soft system (Lennard-Jones argon) and a stiff system (Tersoff silicon) using two-dimensional lattice dynamics calculations and the Boltzmann…
Interactions of charge carriers with lattice vibrations, or phonons, play a critical role in unconventional electronic transport of metals and semimetals. Recent observations of phonon-mediated collective electron flow in bulk semimetals,…
Dynamics of dissipation of a local phonon distribution to the substrate is a key issue in friction between sliding surfaces as well as in boundary lubrication. We consider a model system consisting of an excited nano-particle which is…
Based on exactly mapping of a many-body electron-phonon interaction problem onto a one-body problem, we apply the well-established nonequilibrium Green function technique to solve the time-dependent phonon-assisted tunneling at low…