Abstract

Device performance of monolayer MoS2 transistors is investigated by atomistic simulations within the non-equilibrium Green's function formalism. A strong dependence of quantum transport on MoS2 orientation is predicted. To a large extent, the orientation dependence is due to subband transport properties and the atomistic structure along the transport direction. A bandgap is found in the conduction band along armchair direction (AD), which plays a major role for the orientation-dependent transport. At the same time, different atomic arrangements along AD and zigzag direction have different depletion region lengths, which also contribute to the orientation-dependent transport. Orientation dependence of drain current exists in MoS2 FETs having different gate lengths.

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