Full-band electronic structure calculation of semiconductor nanostructures: a reduced-order approach
Mesoscale and Nanoscale Physics
2013-04-04 v1 Materials Science
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.
Keywords
Cite
@article{arxiv.1304.1019,
title = {Full-band electronic structure calculation of semiconductor nanostructures: a reduced-order approach},
author = {Francesco Bertazzi and Xiangyu Zhou and Michele Goano and Enrico Bellotti and Giovanni Ghione},
journal= {arXiv preprint arXiv:1304.1019},
year = {2013}
}
Comments
Submitted to Computer Physics Communications on September 30, 2012