Atomistic full-band simulations of monolayer MoS₂ transistors

Abstract

We study the transport properties of deeply scaled monolayer MoS 2 n-channel metal-oxidesemiconductor field effect transistors (MOSFETs) using full-band ballistic quantum transport simulations with an atomistic tight-binding Hamiltonian obtained from density functional theory.Our simulations suggest that monolayer MoS 2 MOSFETs can provide near-ideal subthreshold slope, and suppression of drain-induced barrier lowering (DIBL) and gate-induced drain leakage (GIDL). However, these full-band simulations also exhibit limited transconductance. These ballistic simulations also exhibit negative differential resistance (NDR) in the output characteristics associated with the narrow width in energy of the lowest conduction band, but this NDR may be substantially reduced or eliminated by scattering in MoS 2 .

Intrinsic transport properties of electrons and holes in monolayer transition-metal dichalcogenides

“…On the other hand, the secondary peak for the valence band is located at the Brillouin zone center (i.e., the Γ point). Table I [15,20] suggests that the intervalley separation energies are sensitive to the details of the first principles approach including the pseudopotentials. In particular, application of the local density approximation tends to predict smaller values, requiring further clarification via, perhaps, accurate experimental determination.…”

First principles calculations of the interface properties of a-Al2O3/MoS2 and effects of biaxial strain

“…[31][32][33] Low dimensional materials are interesting not only because they can provide access to novel physical phenomena, but also because their unique electrical, optical and mechanical properties make them the focus of attention. [34][35][36][37][38] MoS 2 crystal is composed of Mo atomic layer sandwiched between two layers of S, forming a triangular prismatic arrangement. 39,40 The Mo-S bonding is strong covalent, but the coupling between MoS 2 monolayer is weak van der Waals interactions.…”

Tunable electronic and magnetic properties of a MoS2 monolayer with vacancies under elastic planar strain: Ab initio study

“…Among them, MoS 2 monolayer is highly mentioned due to the extraordinary properties including high direct band gap [2], high flexibility [3], high surface to volume ratio and high mobility as well as on/off current ratio with a hafnium dioxide as the top-gated MoS 2 [4]. By taking advantage of these features, it can be utilized in various nano-device applications [5,6].…”