Full-band electronic structure calculation of semiconductor nanostructures: a reduced-order approach

Francesco Bertazzi; Xiangyu Zhou; Michele Goano; Enrico Bellotti; Giovanni Ghione

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arXiv · 1304.1019

Full-band electronic structure calculation of semiconductor nanostructures: a reduced-order approach

Francesco Bertazzi·Xiangyu Zhou·Michele Goano·Enrico Bellotti·Giovanni Ghione

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Abstract

We propose an efficient reduced-order technique for electronic structure calculations of semiconductor nanostructures, suited for inclusion in full-band quantum transport simulators. The model is based on the linear combination of bulk bands obtained by the empirical pseudopotential method, combined with the use of problem-matched basis functions numerically generated from the singular value decomposition. The efficiency and accuracy of the proposed approach are demonstrated in the case of the dispersion relation of hole subbands in an unstrained GaN layer.

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Francesco Bertazzi, Xiangyu Zhou, Michele Goano, Enrico Bellotti, Giovanni Ghione. 2013-04-03. Full-band electronic structure calculation of semiconductor nanostructures: a reduced-order approach. https://arxiv.org/abs/1304.1019

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