LDA+U and tight-binding electronic structure of InN nanowires
Mesoscale and Nanoscale Physics
2013-09-26 v1
Abstract
In this paper we employ a combined {\it ab initio} and tight-binding approach to obtain the electronic and optical properties of hydrogenated InN nanowires. We first discuss InN band structure for the wurtzite structure calculated at the LDA+U level and use this information to extract the parameters needed for an empirical tight-binging implementation. These parameters are then employed to calculate the electronic and optical properties of InN nanowires in a diameter range that would not be affordable by {\it ab initio} techniques. The reliability of the large nanowires results is assessed by explicitly comparing the electronic structure of a small diameter wire studied both at LDA+U and tight-binding level.
Keywords
Cite
@article{arxiv.1309.6446,
title = {LDA+U and tight-binding electronic structure of InN nanowires},
author = {A. Molina-Sánchez and A. García-Cristóbal and A. Cantarero and A. Terentjevs and G. Cicero},
journal= {arXiv preprint arXiv:1309.6446},
year = {2013}
}