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Theoretical study on the possibility of bipolar doping of ScN | | G. Soto
; M.G. Moreno-Armenta
; A. Reyes-Serrato
; | | Date: |
25 Mar 2008 | | Abstract: | 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. | | Source: | arXiv, 0803.3644 | | Services: | Forum | Review | PDF | Favorites | |
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