86 citations · 255 across the 20 of their papers we have counts for
9 papers · 1 filter
Efficient partitioning of surface Green's function: toward ab initio contact resistance study
Guido Gandus, Youseung Lee, Daniele Passerone +1
In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiat…
Ab initio simulation of band-to-band tunneling FETs with single- and few-layer 2-D materials as channels
Áron Szabó Cedric Klinkert, Davide Campi, Christian Stieger +2
Full-band atomistic quantum transport simulations based on first principles are employed to assess the potential of band-to-band tunneling FETs (TFETs) with a 2-D channel material…
Ab Initio Modeling of Thermal Transport through van der Waals Materials
Sara Fiore, Mathieu Luisier
An advanced modeling approach is presented to shed light on the thermal transport properties of van der Waals materials (vdWMs) composed of single-layer transition metal dichalcoge…
On the suitability of hBN as an insulator for 2D material-based ultrascaled CMOS devices
Theresia Knobloch, Yury Yu. Illarionov, Fabian Ducry +8
Complementary metal oxide semiconductor (CMOS) logic circuits at the ultimate scaling limit place the utmost demands on the properties of all materials involved. The requirements f…
Quantum mechanical modeling of anharmonic phonon-phonon scattering in nanostructures
Yangyu Guo, Marc Bescond, Zhongwei Zhang +3
The coherent quantum effect becomes increasingly important in the heat dissipation bottleneck of semiconductor nanoelectronics with the characteristic size shrinking down to few na…
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…