Abstract
The carbon incorporation mechanism in GaN(0001) and GaN(000 1) during MOVPE was investigated using density functional theory (DFT) calculations. The results confirm that the crucial factors for carbon incorporation are Fermi level pinning and accompanying surface band bending. In addition, the lattice symmetry has a strong dependence on the stability of carbon in a few subsurface layers, which results from interactions between the impurities and surface states. It was shown that these effects are responsible for facilitating or hindering the incorporation of impurities and dopants. The influence of diluent gas species (hydrogen or nitrogen) on carbon incorporation was discussed.
| Original language | English |
|---|---|
| Article number | 141602 |
| Journal | Applied Physics Letters |
| Volume | 111 |
| Issue number | 14 |
| DOIs | |
| Publication status | Published - Oct 2 2017 |
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All Science Journal Classification (ASJC) codes
- Physics and Astronomy (miscellaneous)
Cite this
DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ) metalorganic vapor phase epitaxy. / Kempisty, Pawel; Kangawa, Yoshihiro; Kusaba, Akira; Shiraishi, Kenji; Krukowski, Stanislaw; Bockowski, Michal; Kakimoto, Koichi; Amano, Hiroshi.
In: Applied Physics Letters, Vol. 111, No. 14, 141602, 02.10.2017.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ) metalorganic vapor phase epitaxy
AU - Kempisty, Pawel
AU - Kangawa, Yoshihiro
AU - Kusaba, Akira
AU - Shiraishi, Kenji
AU - Krukowski, Stanislaw
AU - Bockowski, Michal
AU - Kakimoto, Koichi
AU - Amano, Hiroshi
PY - 2017/10/2
Y1 - 2017/10/2
N2 - The carbon incorporation mechanism in GaN(0001) and GaN(000 1) during MOVPE was investigated using density functional theory (DFT) calculations. The results confirm that the crucial factors for carbon incorporation are Fermi level pinning and accompanying surface band bending. In addition, the lattice symmetry has a strong dependence on the stability of carbon in a few subsurface layers, which results from interactions between the impurities and surface states. It was shown that these effects are responsible for facilitating or hindering the incorporation of impurities and dopants. The influence of diluent gas species (hydrogen or nitrogen) on carbon incorporation was discussed.
AB - The carbon incorporation mechanism in GaN(0001) and GaN(000 1) during MOVPE was investigated using density functional theory (DFT) calculations. The results confirm that the crucial factors for carbon incorporation are Fermi level pinning and accompanying surface band bending. In addition, the lattice symmetry has a strong dependence on the stability of carbon in a few subsurface layers, which results from interactions between the impurities and surface states. It was shown that these effects are responsible for facilitating or hindering the incorporation of impurities and dopants. The influence of diluent gas species (hydrogen or nitrogen) on carbon incorporation was discussed.
UR - http://www.scopus.com/inward/record.url?scp=85030754650&partnerID=8YFLogxK
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U2 - 10.1063/1.4991608
DO - 10.1063/1.4991608
M3 - Article
AN - SCOPUS:85030754650
VL - 111
JO - Applied Physics Letters
JF - Applied Physics Letters
SN - 0003-6951
IS - 14
M1 - 141602
ER -