摘要:

Non-equilibrium Green’s function (NEGF) is a general method for modeling non-equilibrium quantum transport in open mesoscopic systems with many body scattering effects. In this paper, we present a unified treatment of quantum device boundaries in the framework of NEGF with both finite difference and finite element discretizations. Boundary treat- ments for both types of numerical methods, and the resulting self-energy R for the NEGF formulism, representing the dis- sipative effects of device contacts on the transport, are derived using auxiliary Green’s functions for the exterior of the quantum devices. Numerical results with both discretization schemes for an one-dimensional nano-device and a 29 nm double gated MOSFET are provided to demonstrate the accuracy and flexibility of the proposed boundary treatments.

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