TY - JOUR
T1 - First-principles study of the surface phase diagrams of GaN(0001) and (000−1) under oxide vapor phase epitaxy growth conditions
AU - Kawamura, Takahiro
AU - Kitamoto, Akira
AU - Imade, Mamoru
AU - Yoshimura, Masashi
AU - Mori, Yusuke
AU - Morikawa, Yoshitada
AU - Kangawa, Yoshihiro
AU - Kakimoto, Koichi
N1 - Funding Information:
This work was supported by JSAP Grand-in-Aid for Young Scientists (B) (Grant Number 15K17459), JSAP Grant-in-Aid for Scientific Research on Innovative Areas (Grant Number 26105010 and 16H06418), and by the Collaborative Research Program of Research Institute for Applied Mechanics, Kyushu University.
Publisher Copyright:
© 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2017/8
Y1 - 2017/8
N2 - First-principles calculations are used to investigate the stable structures of the GaN(0001) and (000–1) surfaces under oxide vapor phase epitaxy growth conditions. The surface phase diagrams as a function of temperature and Ga pressure are described. It was found that the GaN(0001) surface is covered by OH groups. For the GaN(000–1) surface, the stable surface structure is with H atoms adsorbed on the topmost N atoms or an O atom stably incorporated into the Ga monolayer. We discuss the relationship between the growth conditions and O impurity incorporation. From the results, we suggest that high H2 pressure and high temperature growth conditions are favorable for decreasing O impurity incorporation.
AB - First-principles calculations are used to investigate the stable structures of the GaN(0001) and (000–1) surfaces under oxide vapor phase epitaxy growth conditions. The surface phase diagrams as a function of temperature and Ga pressure are described. It was found that the GaN(0001) surface is covered by OH groups. For the GaN(000–1) surface, the stable surface structure is with H atoms adsorbed on the topmost N atoms or an O atom stably incorporated into the Ga monolayer. We discuss the relationship between the growth conditions and O impurity incorporation. From the results, we suggest that high H2 pressure and high temperature growth conditions are favorable for decreasing O impurity incorporation.
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U2 - 10.1002/pssb.201600706
DO - 10.1002/pssb.201600706
M3 - Article
AN - SCOPUS:85014054735
SN - 0370-1972
VL - 254
JO - Physica Status Solidi (B): Basic Research
JF - Physica Status Solidi (B): Basic Research
IS - 8
M1 - 1600706
ER -