86 citations · 240 across the 18 of their papers we have counts for
4 papers · 1 filter
Impact of Orientation Misalignments on Black Phosphorus Ultrascaled Field-effect Transistors
Cedric Klinkert, Sara Fiore, Jonathan Backmann +2
Two-dimensional materials with strong bandstructure anisotropy such as black phosphorus BP have been identified as attractive candidates for logic application due to their potentia…
Winterface: An Interface from Wannier90 to Quantum Transport
Christian Stieger, Mathieu Luisier
In this work a framework for quantum transport simulation from first principles is introduced, focusing on the coherent case. The model is based on the non-equilibrium Green's func…
Pushing Back the Limit of Ab-initio Quantum Transport Simulations on Hybrid Supercomputers
Mauro Calderara, Sascha Brueck, Andreas Pedersen +3
The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly…
Lithiation of Tin Oxide: A Computational Study
Andreas Pedersen, Mathieu Luisier
We suggest that the lithiation of pristine SnO forms a layered LiO structure while the expelled tin atoms agglomerate into 'surface' planes separating the LiO…