Abstract

In this paper, the transport properties of field-effect transistors based on armchair C3n nanoribbon saturated by hydrogen are theoretically analyzed through a multiscale simulation procedure from first-principles computation to the tight binding analysis. Density Functional Theory(DFT) for the electronic structure, maximally localized Wannier functions(MLWf)for the tight-binding(TB) hamiltonian, and nonequilibrium Green's function(NEGF) formalism for the transport properties. The band structure, transmission coefficient and the I- $V$ curves are calculated. Simulation results show that gate length has a great effect on the transport properties of transistors based on armchair C3N.

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