@article{f36820ba9a0d46f5b8594de138a58588,
title = "DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ) metalorganic vapor phase epitaxy",
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.",
author = "Pawel Kempisty and Yoshihiro Kangawa and Akira Kusaba and Kenji Shiraishi and Stanislaw Krukowski and Michal Bockowski and Koichi Kakimoto and Hiroshi Amano",
note = "Funding Information: This research was partially supported by MEXT “Program for research and development of next-generation semiconductor to realize energy-saving society,” JST SICORP Grant No. 16813791B, Polish National Science Center Grant No. DEC-2015/19/B/ST5/02136, and the European Union{\textquoteright}s Horizon 2020 Research and Innovation Program (Grant No. 720527/InRel-NPower Project). The calculations were performed using the computing facilities of the Interdisciplinary Centre for Mathematical and Computational Modelling of Warsaw University (ICM UW). Publisher Copyright: {\textcopyright} 2017 Author(s).",
year = "2017",
month = oct,
day = "2",
doi = "10.1063/1.4991608",
language = "English",
volume = "111",
journal = "Applied Physics Letters",
issn = "0003-6951",
publisher = "American Institute of Physics Publising LLC",
number = "14",
}