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We simulate the effects of rotational misalignment of the tunnel barrier layer between aligned channel layers in a monolayer-graphene/hBN/monolayer-graphene system. Through use of density functional theory (DFT) methods, we demonstrate a reduction in tunneling current due to weakened coupling across the rotationally misaligned interfaces between the channel layers and the tunnel barrier.
FinFET geometries have been developed for the sub-22 nm regime to extend Si-CMOS scaling via improved electrostatics compared to planar technology. Moreover, engineers have incorporated high-k oxide gate stacks. Beyond leakage current, less discussed is the impact of the gate oxide's complex band structure on the device performance. However, it defines the boundary condition for the channel wavefunction...
Significant roadblocks to the widespread use of monolayer transition metal dichaclogenides for CMOS-logic applications are the large contact resistance and absence of reliable doping techniques. Metal contacts that pin the Fermi level within the desired band are optimal for device applications. Here, we study substitutional doping of, and various metal contacts to, monolayer MoS2 using density functional...
We present a three-dimensional semi-classical ensemble Monte Carlo device simulator with novel quantum corrections. The simulator includes a beyond-Fermi treatment of Pauli-Exclusion-blocked scattering, and a valley-dependent treatment of various quantum confinement effects. Quantum corrections to the potential are used not only to model redistribution of carriers in real space, but also to model...
Monolayer transition metal dichalcogenides (TMDs) are novel gapped two-dimensional materials with unique electrical and optical properties. Here, we study the effect of dielectric oxide slabs on the electronic structure of monolayer MoS2 using density functional theory (DFT) calculations. We also have simulated the effects of O-vacancies in the first few layers of the oxide on the band structure of...
Transition metal dichalcogenides (TMDs) are novel, and unlike graphene, gapped 2D materials with unique electrical and optical properties that are being explored for novel device applications. Their 2D nature also makes their properties sensitive to the surrounding environment. For example, a free standing monolayer of MoS2 — which has an experimentally reported direct band gap of Eg ≈ 1.8 eV1 — has...
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