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We present and algorithm for self-consistent solution of the Poisson and Schrodinger equations in two spatial dimensions with open boundary conditions to permit current flow. The algorithm works by discretely sampling a device's density of states using standing wave boundary conditions, decomposing the standing waves into traveling waves injected from the contacts to assign occupancies, and iterating the quantum charge with the potential to self-consistency using a hybrid Newton-Broyden method. A double-gate FET is simulated as an example, with applications focused on surface roughness and contact geometry.
By: Steven E. Laux, Arvind Kumar, Massimo V. Fischetti
Published in: IEEE Transactions on Nanotechnology, volume 1, (no 4), pages 255-9 in 2002
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