1.9k citations · 2.8k across the 10 of their papers we have counts for
10 papers
Schottky barrier lowering due to interface states in 2D heterophase devices
Line Jelver, Daniele Stradi, Kurt Stokbro +1
The Schottky barrier of a metal-semiconductor junction is one of the key quantities affecting the charge transport in a transistor. The Schottky barrier height depends on several f…
QuantumATK: An integrated platform of electronic and atomic-scale modelling tools
Søren Smidstrup, Troels Markussen, Pieter Vancraeyveld +19
QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different…
Spontaneous breaking of time-reversal symmetry at the edges of 1T' monolayer transition metal dichalcogenides
Line Jelver, Daniele Stradi, Thomas Olsen +2
Using density functional theory calculations and the Greens's function formalism, we report the existence of magnetic edge states with a non-collinear spin texture present on diffe…
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…