1.9k citations · 2.2k across the 6 of their papers we have counts for
6 papers
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…
Efficient first-principles calculation of phonon assisted photocurrent in large-scale solar cell devices
Mattias Palsgaard, Troels Markussen, Tue Gunst +2
We present a straightforward and computationally cheap method to obtain the phonon-assisted photocurrent in large-scale devices from first-principles transport calculations. The ph…
First-Principles Electron Transport with Phonon Coupling: Large-Scale at Low Cost
Tue Gunst, Troels Markussen, Mattias L. N. Palsgaard +2
Phonon-assisted tunneling plays a crucial role for electronic device performance and even more so with future size down-scaling. We show how one can include this effect in large-sc…
Interface band gap narrowing behind open circuit voltage losses in CuZnSnS solar cells
Andrea Crovetto, Mattias Palsgaard, Tue Gunst +4
We present evidence that band gap narrowing at the heterointerface may be a major cause of the large open circuit voltage deficit of CuZnSnS/CdS solar cells. Band gap narro…
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…
Unravelling the role of inelastic tunneling into pristine and defected graphene
Mattias L. N. Palsgaard, Nick P. Andersen, Mads Brandbyge
We present a first principles method for calculating the inelastic electron tunneling spectroscopy (IETS) on gated graphene. We reproduce experiments on pristine graphene and point…