Theoretical study on the possibility of bipolar doping of ScN

Details Theoretical study on the possibility of bipolar doping of ScN Theoretical study on the possibility of bipolar doping of ScN

2008-03-25

arxiv.org/abs/0803.3644v1

Physics

Condensed Matter

Materials Science

9 pages, 1 figure

Scientific paper

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.

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