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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…
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…
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 quantum transport modeling of spin-transfer and spin-orbit torques in magnetic multilayers
Branislav K. Nikolic, Kapildeb Dolui, Marko Petrović +3
We review a unified approach for computing: (i) spin-transfer torque in magnetic trilayers like spin-valves and magnetic tunnel junction, where injected charge current flows perpen…
Complex band structure and electronic transmission
Anders Jensen, Mikkel Strange, Søren Smidstrup +3
The function of nano-scale devices critically depends on the choice of materials. For electron transport junctions it is natural to characterize the materials by their conductance…
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…