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20032022
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

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5 papers · 1 filter

cond-mat.mes-hall2020★ 25 cited

Ab initio mobility of mono-layer MoS2 and WS2: comparison to experiments and impact on the device characteristics

Youseung Lee, Sara Fiore, Mathieu Luisier

We combine the linearized Boltzmann Transport Equation (LBTE) and quantum transport by means of the Non-equilibrium Green's Functions (NEGF) to simulate single-layer MoS2 and WS2 u…

cond-mat.mes-hall2020★ 51 cited

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…

cond-mat.mes-hall2018★ 18 cited

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…

cond-mat.mes-hall2018★ 87 cited

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…

cond-mat.mes-hall2011★ 3 cited

Effects of Interface Roughness Scattering on Radio Frequency Performance of Silicon Nanowire Transistors

SungGeun Kim, Mathieu Luisier, Timothy B. Boykin +1

The effects of an atomistic interface roughness in n-type silicon nanowire transistors (SiNWT) on the radio frequency performance are analyzed. Interface roughness scattering (IRS)…