TY - JOUR
T1 - Absolute surface energies of oxygen-adsorbed GaN surfaces
AU - Kawamura, Takahiro
AU - Akiyama, Toru
AU - Kitamoto, Akira
AU - Imanishi, Masayuki
AU - Yoshimura, Masashi
AU - Mori, Yusuke
AU - Morikawa, Yoshitada
AU - Kangawa, Yoshihiro
AU - Kakimoto, Koichi
N1 - Funding Information:
This work was supported by JSPS KAKENHI [Grant Nos. JP18K04957 , JP26105010 , JP16H06418 , JP20H02639 , and JP20H00352 ], and by the Collaborative Research Program of the Research Institute for Applied Mechanics, Kyushu University. We thank Alan Burns, PhD, from Edanz Group ( https://en-author-services.edanzgroup.com/ ) for editing a draft of this manuscript.
Publisher Copyright:
© 2020 The Author(s)
PY - 2020/11/1
Y1 - 2020/11/1
N2 - Absolute surface energies of reconstructed polar, nonpolar, and semi-polar GaN surfaces formed under oxide vapor phase epitaxy (OVPE) growth conditions were investigated via first-principles calculations. The relationships of stable surface orientations and surface structures with the growth conditions of Ga pressure and temperature were examined in terms of absolute surface energies. The stability of the surface orientation was in the order (0 0 0 1¯), (1 1¯ 0 1), (1 1¯ 0 0), (1 1 2¯ 0), (0 0 0 1), and (1 1¯ 0 1¯). High O concentrations on OVPE-grown GaN could be explained in relation to the stability of the (1 1¯ 0 1) surface. The stable (1 1¯ 0 1) surface consisted of N vacancies and H and O adatoms. Therefore, it was deduced that its appearance results in increased O impurity incorporation.
AB - Absolute surface energies of reconstructed polar, nonpolar, and semi-polar GaN surfaces formed under oxide vapor phase epitaxy (OVPE) growth conditions were investigated via first-principles calculations. The relationships of stable surface orientations and surface structures with the growth conditions of Ga pressure and temperature were examined in terms of absolute surface energies. The stability of the surface orientation was in the order (0 0 0 1¯), (1 1¯ 0 1), (1 1¯ 0 0), (1 1 2¯ 0), (0 0 0 1), and (1 1¯ 0 1¯). High O concentrations on OVPE-grown GaN could be explained in relation to the stability of the (1 1¯ 0 1) surface. The stable (1 1¯ 0 1) surface consisted of N vacancies and H and O adatoms. Therefore, it was deduced that its appearance results in increased O impurity incorporation.
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U2 - 10.1016/j.jcrysgro.2020.125868
DO - 10.1016/j.jcrysgro.2020.125868
M3 - Article
AN - SCOPUS:85090752460
SN - 0022-0248
VL - 549
JO - Journal of Crystal Growth
JF - Journal of Crystal Growth
M1 - 125868
ER -