34 citations · 38 across the 3 of their papers we have counts for
7 papers
Radiative capture rates at deep defects from electronic structure calculations
Cyrus E. Dreyer, Audrius Alkauskas, John L. Lyons +1
We present a methodology to calculate radiative carrier capture coefficients at deep defects in semiconductors and insulators from first principles. Electronic structure and lattic…
Long-range quadrupole electron-phonon interaction from first principles
Jinsoo Park, Jin-Jian Zhou, Vatsal A. Jhalani +2
Lattice vibrations in materials induce perturbations on the electron dynamics in the form of long-range (dipole and quadrupole) and short-range (octopole and higher) potentials. Th…
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…
Seeing moiré superlattices
L. J. McGilly, A. Kerelsky, N. R. Finney +17
Moiré superlattices in van der Waals (vdW) heterostructures have given rise to a number of emergent electronic phenomena due to the interplay between atomic structure and electron…
Giant polarization charge density at lattice-matched GaN/ScN interfaces
Nicholas L. Adamski, Cyrus E. Dreyer, Chris G. Van de Walle
Rocksalt ScN is a semiconductor with a small lattice mismatch to wurtzite GaN. Within the modern theory of polarization, ScN has a nonvanishing formal polarization along the [111]…
Metric-wave approach to flexoelectricity within density-functional perturbation theory
Andrea Schiaffino, Cyrus E. Dreyer, David Vanderbilt +1
Within the framework of density functional perturbation theory (DFPT), we implement and test a novel "metric wave" response-function approach. It consists in the reformulation of a…