4.8k citations · 23.5k across the 67 of their papers we have counts for
3 papers · 1 filter
Maximally-localized Wannier functions for GW quasiparticles
D. R. Hamann, David Vanderbilt
We review the formalisms of the self-consistent GW approximation to many-body perturbation theory and of the generation of optimally-localized Wannier functions from groups of ener…
Magnetoelectric polarizability and axion electrodynamics in crystalline insulators
Andrew M. Essin, Joel E. Moore, David Vanderbilt
The orbital motion of electrons in a three-dimensional solid can generate a pseudoscalar magnetoelectric coupling , a fact we derive for the single-particle case using a recent…
Fast Molecular-Dynamics Simulation for Ferroelectric Thin-Film Capacitors Using a First-Principles Effective Hamiltonian
Takeshi Nishimatsu, Umesh V. Waghmare, Yoshiyuki Kawazoe +1
A newly developed fast molecular-dynamics method is applied to BaTiO3 ferroelectric thin-film capacitors with short-circuited electrodes or under applied voltage. The molecular-dyn…