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JOURNALS // Nanosystems: Physics, Chemistry, Mathematics // Archive

Nanosystems: Physics, Chemistry, Mathematics, 2011 Volume 2, Issue 3, Pages 7–28 (Mi nano629)

MATHEMATICS

WKB-based schemes for two-band Schrödinger equations in the highly oscillatory regime

J. Geier, A. Arnold

Institute for Analysis and Scientific Computing, Vienna University of Technology, Wien, Austria

Abstract: An efficient and accurate numerical method is presented for the solution of highly oscillatory differential equations in one spatial dimension. While standard methods would require a very fine grid to resolve the oscillations, the presented approach uses first an analytic WKB-type transformation, which filters out the dominant oscillations. The resulting ODE-system is much smoother and can hence be discretized on a much coarser grid, with significantly reduced numerical costs. Here we are concerned with stationary two-band Schrödinger equations employed in quantum transport applications. We focus on the Kane-model and the two band - model. The accuracy of the presented method is illustrated on a numerical example.

Keywords: Schrödinger equation, Kane-model, two-band -model, highly oscillating wave functions, higher order WKB-approximation, asymptotically correct finite difference scheme.

UDC: 530.145

PACS: 02.60.Lj, 02.60.Lh, 85.30.De

Language: English



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