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In this work, we first calculate the effects of uniaxial strain on polar optical phonon (POP) scattering rates in monolayer M0S2. We then study the effects of strain on electron transport in a monolayer MoS2 based FET device employing a fully 3-D particle based quantum-corrected Monte Carlo device simulator. Our results show that, for both E+ and E Raman modes, the current first increases for up to...
This work describes our on-going efforts to develop a multiscale Quantum Atomistic Device Simulator (QuADS 3-D) where: a) material parameters are obtained atomistically using first-principles, b) structural relaxation and phonon dispersions are studied via molecular mechanics/dynamics, c) a variety of tight-binding models (s, sp3s*, sp3d5s*) are used for the calculation of electronic bandstructure...
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