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Using in-plane anisotropy to engineer Janus monolayers of rhenium dichalcogenides
Nourdine Zibouche, Surani M. Gunasekera, Daniel Wolverson +1
The new class of Janus two-dimensional (2D) transition-metal dichalcogenides with two different interfaces are currently gaining increasing attention due to their distinct properti…
GW band structure of monolayer MoS2 using the SternheimerGW method and effect of dielectric environment
Nourdine Zibouche, Martin Schlipf, Feliciano Giustino
Monolayers of transition-metal dichalcogenides (TMDs) hold great promise as future nanoelectronic and optoelectronic devices. An essential feature for achieving high device perform…
SternheimerGW: a program for calculating GW quasiparticle band structures and spectral functions without unoccupied states
Martin Schlipf, Henry Lambert, Nourdine Zibouche +1
The SternheimerGW software uses time-dependent density-functional perturbation theory to evaluate GW quasiparticle band structures and spectral functions for solids. Both the Green…
Transition-metal dichalcogenide bilayers: switching materials for spin- and valleytronic applications
Nourdine Zibouche, Pier Philipsen, Agnieszka Kuc +1
We report that an external electric field applied normal to bilayers of transition-metal dichalcogenides TX2, M = Mo, W, X = S, Se, creates significant spin-orbit splittings and re…
Electron Transport in MoWSeS Monolayers in Presence of an External Electric Field
Nourdine Zibouche, Pier Philipsen, Thomas Heine +1
The influence of an external electric field on single-layer transition-metal dichalcogenides TX2 with T = Mo, W and X = S, Se (MoWSeS) have been investigated by means of density-fu…
Electromechanics in MoS2 and WS2: nanotubes vs. monolayers
Mahdi Ghorbani-Asl, Nourdine Zibouche, Mohammad Wahiduzzaman +3
The transition-metal dichalcogenides (TMD) MoS2 and WS2 show remarkable electromechanical properties. Strain modifies the direct band gap into an indirect one, and substantial stra…
From Layers to Nanotubes: Transition Metal Disulfides TMS2
Nourdine Zibouche, Agnieszka Kuc, Thomas Heine
MoS2 and WS2 layered transition-metal dichalcogenides are indirect band gap semiconductors in their bulk forms. Thinned to a monolayer, they undergo a transition and become direct…
How does quantum confinement influence the electronic structure of transition metal sulfides TmS2
Agnieszka Kuc, Nourdine Zibouche, Thomas Heine
Bulk MoS2, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its size to a monolayer, MoS2 undergoes a transition to the direc…