Related papers: First-Principles Electron Transport with Phonon Co…
We investigate the conduction-band structure and electron mobility in rocksalt ScN based on density functional theory. The first-principles band structure allows us to obtain band velocities and effective masses as a function of energy.…
We present a method to analyze the results of first-principles based calculations of electronic currents including inelastic electron-phonon effects. This method allows us to determine the electronic and vibrational symmeties in play, and…
Recent experiments suggest the possibility to tune superconductivity in metallic nanowires by application of modest gate voltages. It is largely debated whether the effect is due to an electric field at the superconductor surface or small…
We present a fully first-principles method for superconducting thin films. The layer dependent phonon spectrum is calculated to determine the layer dependence of the electron-phonon coupling for such systems, which is coupled to the…
Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their…
The synthesis of ultra-long lived acoustic phonons in a variety of materials and device geometries could enable a range of new coherent information processing and sensing technologies; many forms of phonon dissipation pose a barrier to this…
The influence of electron-phonon interaction on the transmission phase shift of an electron passing through a quantum dot is investigated by using the scattering theory. The transmission phase versus the intra-dot level shows a serial of…
We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…
Phonons, the ubiquitous quanta of vibrational energy, play a vital role in the performance of quantum technologies. Conversely, unintended coupling to phonons degrades qubit performance and can lead to correlated errors in superconducting…
We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…
Nonequilibrium multi-carrier thermal transport is essential for both scientific research and technological applications in electronic, spintronic, and energy conversion devices. This article reviews the fundamentals of phonon, electron,…
Phonon transport near nanoscale hotspots (NHs) critically determines heat dissipation in advanced electronic devices. The prevailing understanding is that the enhanced thermal resistance (TR) observed in NHs originates from long mean free…
Transport through a single molecular conductor is considered, showing negative differential conductance behavior associated with phonon-mediated electron tunneling processes. This theoretical work is motivated by a recent experiment by…
We present a TCAD compatible multiscale model of phonon-assisted band-to-band tunneling (BTBT) in semiconductors, that incorporates the non-parabolic nature of complex bands within the bandgap of the material. This model is shown capture…
The coupling between electrons and phonons in solids plays a central role in describing many phenomena, including superconductivity and thermoelecric transport. Calculations of this coupling are exceedingly demanding as they necessitate…
Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interactions from first-principles with methods beyond…
Phonons, the quanta of lattice vibrations, are primary heat carriers for semiconductors and dielectrics. The demand of effective phonon manipulation urgently emerges, because the thermal management is crucial for the ongoing development of…
The expression for additional subgap current in the presence of electron-phonon interaction is derived. We show that the phonon assisted tunneling leads to appearance of peaks on current-voltage characteristics at the Josephson frequencies…
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…
Anomalous transport of topological semimetals has generated significant interest for applications in optoelectronics, nanoscale devices, and interconnects. Understanding the origin of novel transport is crucial to engineering the desired…