159 citations · 707 across the 11 of their papers we have counts for
6 papers · 1 filter
Route to high hole mobility in GaN via reversal of crystal-field splitting
Samuel Poncé, Debdeep Jena, Feliciano Giustino
A fundamental obstacle toward the realization of GaN p-channel transistors is its low hole mobility. Here we investigate the intrinsic phonon-limited mobility of electrons and hole…
Hole mobility of strained GaN from first principles
Samuel Poncé, Debdeep Jena, Feliciano Giustino
Nitride semiconductors are ubiquitous in optoelectronic devices such as LEDs and Blu-Ray optical disks. A major limitation for further adoption of GaN in power electronics is its l…
First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials
Samuel Poncé, Wenbin Li, Sven Reichardt +1
One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradien…
Wannier90 as a community code: new features and applications
Giovanni Pizzi, Valerio Vitale, Ryotaro Arita +28
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electron…
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…
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…