284 citations · 2.1k across the 37 of their papers we have counts for
7 papers · 1 filter
Ab initio electron-defect interactions using Wannier functions
I-Te Lu, Jinsoo Park, Jin-Jian Zhou +1
Computing electron-defect (e-d) interactions from first principles has remained impractical due to computational cost. Here we develop an interpolation scheme based on maximally lo…
Precise Radiative Lifetimes in Bulk Crystals from First Principles: The Case of Wurtzite GaN
Vatsal A. Jhalani, Hsiao-Yi Chen, Maurizia Palummo +1
Gallium nitride (GaN) is a key semiconductor for solid-state lighting, but its radiative processes are not fully understood. Here we show a first-principles approach to accurately…
Elliott-Yafet Spin-Phonon Relaxation Times from First Principles
Jinsoo Park, Jin-Jian Zhou, Marco Bernardi
We present a first-principles approach for computing the phonon-limited spin relaxation time due to the Elliot-Yafet mechanism. Our scheme combines fully-relativistic spin-fl…
Predicting charge transport in the presence of polarons: The beyond-quasiparticle regime in SrTiO
Jin-Jian Zhou, Marco Bernardi
In materials with strong electron-phonon (-ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Predicting charge…
Next-to-Leading Order Ab Initio Electron-Phonon Scattering
Nien-En Lee, Jin-Jian Zhou, Hsiao-Yi Chen +1
Electron-phonon (e-ph) interactions are usually treated in the lowest order of perturbation theory. Here we derive next-to-leading order e-ph interactions, and compute from first p…
Efficient Ab Initio Calculations of Electron-Defect Scattering and Defect-Limited Carrier Mobility
I-Te Lu, Jin-Jian Zhou, Marco Bernardi
Electron-defect (-d) interactions govern charge carrier dynamics at low temperature, where they limit the carrier mobility and give rise to phenomena of broad relevance in conde…