86 citations · 240 across the 18 of their papers we have counts for
5 papers · 1 filter
Ab-initio quantum transport simulation of self-heating in single-layer 2-D materials
Christian Stieger, Aron Szabo, Teute Bunjaku +1
Through advanced quantum mechanical simulations combining electron and phonon transport from first-principles self-heating effects are investigated in n-type transistors with a sin…
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…
Thermal Properties of Disordered LixMoS2 - An Ab-Initio Study
Teutë Bunjaku, Mathieu Luisier
An atomistic study of the thermal properties of lithiated molybdenum disulfide (MoS2) is presented and an explanation for the experimentally determined anisotropic behavior of the…
Electronic Properties of Lithiated SnO-based Anode Materials
Dominik Bauer, Teute Bunjaku, Andreas Pedersen +1
In this paper we use an ab-initio quantum transport approach to study the electron current flowing through lithiated SnO anodes for potential applications in Li-ion batteries. By i…
Light from van der Waals quantum tunneling devices
Markus Parzefall, Áron Szabó, Takashi Taniguchi +3
The understanding of and control over light emission from quantum tunneling has challenged researchers for more than four decades due to the intricate interplay of electrical and o…