1.9k citations · 2.6k across the 8 of their papers we have counts for
8 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…
ATK-ForceField: A New Generation Molecular Dynamics Software Package
Julian Schneider, Jan Hamaekers, Samuel T. Chill +5
ATK-ForceField is a software package for atomistic simulations using classical interatomic potentials. It is implemented as a part of the Atomistix ToolKit (ATK), which is a Python…
General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and non-equilibrium Green's function
Daniele Stradi, Umberto Martinez, Anders Blom +2
Metal-semiconductor contacts are a pillar of modern semiconductor technology. Historically, their microscopic understanding has been hampered by the inability of traditional analyt…
Atomic-scale model for the contact resistance of the nickel-graphene interface
Kurt Stokbro, Mads Engelund, Anders Blom
We perform first-principles calculations of electron transport across a nickel-graphene interface. Four different geometries are considered, where the contact area, graphene and ni…
Magnetoresistance and negative differential resistance in Ni/Graphene/Ni vertical heterostructures driven by finite bias voltage: A first-principles study
Kamal K. Saha, Anders Blom, Kristian S. Thygesen +1
Using the nonequilibrium Green function formalism combined with density functional theory, we study finite-bias quantum transport in Ni/Gr_n/Ni vertical heterostructures where …
Semi-Empirical Model for Nano-Scale Device Simulations
Kurt Stokbro, Dan Erik Petersen, Søren Smidstrup +3
We present a new semi-empirical model for calculating electron transport in atomic-scale devices. The model is an extension of the Extended Hückel method with a self-consistent Har…