1.3k citations · 2.4k across the 25 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 151 cited
Ab initio theory of polarons: formalism and applications
Weng Hong Sio, Carla Verdi, Samuel Ponce +1
We develop a theoretical and computational framework to study polarons in semiconductors and insulators from first principles. Our approach provides the formation energy, excitatio…
cond-mat.mtrl-sci2019★ 144 cited
Polarons from first principles, without supercells
Weng Hong Sio, Carla Verdi, Samuel Ponce +1
We develop a formalism and a computational method to study polarons in insulators and semi-conductors from first principles. Unlike in standard calculations requiring large superce…