Scandium nitride (ScN) is a semiconducting transition metal nitride for which there are not identified dopants. We present local density functional calculations, in supercell approach, for ScN doped with O and C in N-sites and Ca and Ti in Sc-sites. Small additions of these atoms have the effect of shifting the Fermi level within the electronic band structure. O and Ti bring occupied states in bottom of conduction band, while C and Ca produces holes in top of valence band. Based on the theory we propose that bipolar doping is possible to scandium nitride.
@article{arxiv.0803.3644,
title = {Theoretical study on the possibility of bipolar doping of ScN},
author = {G. Soto and M. G. Moreno-Armenta and A. Reyes-Serrato},
journal= {arXiv preprint arXiv:0803.3644},
year = {2009}
}