1.9k citations · 2.8k across the 10 of their papers we have counts for
4 papers · 1 filter
First-principles Green's-function method for surface calculations: a pseudopotential localized basis set approach
Søren Smidstrup, Daniele Stradi, Jess Wellendorff +7
We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopoten…
Method for determining optimal supercell representation of interfaces
Daniele Stradi, Line Jelver, Søren Smidstrup +1
The geometry and structure of an interface ultimately determines the behavior of devices at the nanoscale. We present a generic method to determine the possible lattice matches bet…
Electron-phonon scattering from Green's function transport combined with Molecular Dynamics: Applications to mobility predictions
Troels Markussen, Mattias Palsgaard, Daniele Stradi +3
We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecu…
Proximity band structure and spin textures on both sides of topological-insulator/ferromagnetic-metal interface and their transport probes
J. M. Marmolejo-Tejada, K. Dolui, P. Lazic +5
The control of recently observed spintronic effects in topological-insulator/ferromagnetic-metal (TI/FM) heterostructures is thwarted by the lack of understanding of band structure…