2 papers
cond-mat.mtrl-sci2020
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…
cond-mat.mes-hall2019
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…