DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ¯ ) metalorganic vapor phase epitaxy

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 la...

Full description

Saved in:
Bibliographic Details
Published inApplied physics letters Vol. 111; no. 14
Main Authors Kempisty, Pawel, Kangawa, Yoshihiro, Kusaba, Akira, Shiraishi, Kenji, Krukowski, Stanislaw, Bockowski, Michal, Kakimoto, Koichi, Amano, Hiroshi
Format Journal Article
LanguageEnglish
Published Melville American Institute of Physics 02.10.2017
Subjects
Applied physics
Carbon
Density functional theory
Dependence
Fermi surfaces
Impurities
Incorporation
Metalorganic chemical vapor deposition
Online AccessGet full text
ISSN0003-6951
1077-3118
DOI10.1063/1.4991608

Cover

More Information
Summary: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.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 14
ISSN:0003-6951
1077-3118
DOI:10.1063/1.4991608