26 citations · 26 across the 1 of their papers we have counts for
9 papers
Magnetotransport in semiconductors and two-dimensional materials from first principles
Dhruv C. Desai, Bahdan Zviazhynski, Jin-Jian Zhou +1
We demonstrate a first-principles method to study magnetotransport in materials by solving the Boltzmann transport equation (BTE) in the presence of an external magnetic field. Our…
Facile ab initio approach for self-localized polarons from canonical transformations
Nien-En Lee, Hsiao-Yi Chen, Jin-Jian Zhou +1
Electronic states in a crystal can localize due to strong electron-phonon (e-ph) interactions, forming so-called small polarons. Methods to predict the formation and energetics of…
Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN
Vatsal A. Jhalani, Jin-Jian Zhou, Jinsoo Park +2
First-principles calculations of -ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) -p…
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…
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…