The Thomas-Fermi-Dirac (TFD) approximation and an sp3d5s* tight binding method were used to calculate the electronic properties of a delta-doped phosphorus layer in silicon. This self-consistent model improves on the computational efficiency of "more rigorous" empirical tight binding and ab initio density functional theory models without sacrificing the accuracy of these methods. The computational efficiency of the TFD model provides improved scalability for large multi-atom simulations, such as of nanoelectronic devices that have experimental interest. We also present the first theoretically calculated electronic properties of a delta-doped phosphorus layer in germanium as an application of this TFD model.
@article{arxiv.1308.5056,
title = {Electronic properties of delta-doped phosphorus layers in silicon and germanium},
author = {Jackson S. Smith and Jared H. Cole and Salvy P. Russo},
journal= {arXiv preprint arXiv:1308.5056},
year = {2014}
}