Computational study of oxygen stability in vicinal m(10-10)-GaN growth by MOVPE

Fumiya Shintaku; Daichi Yosho; Yoshihiro Kangawa; Jun Ichi Iwata; Atsushi Oshiyama; Kenji Shiraishi; Atsushi Tanaka; Hiroshi Amano

doi:10.35848/1882-0786/ab8723

Computational study of oxygen stability in vicinal m(10-10)-GaN growth by MOVPE

Fumiya Shintaku, Daichi Yosho, Yoshihiro Kangawa, Jun Ichi Iwata, Atsushi Oshiyama, Kenji Shiraishi, Atsushi Tanaka, Hiroshi Amano

Division of Renewable Energy Dynamics

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

Using density functional calculations, we clarify the oxygen incorporation mechanism in vicinal m-GaN growth by metal-organic vapor-phase epitaxy. We first identify reconstructed structures of 5° off m-GaN toward the ±c directions. Next, we explore preferable sites for oxygen substitution near step edges. We find that oxygen prefers the lower nitrogen site of the step edge on the +c 5° off m-GaN substrate compared with that on the-c 5° off m-GaN substrate. This tendency agrees with recent experimental findings that the oxygen concentration in-c 5° off m-GaN epilayers is lower than that in +c 5° off m-GaN epilayers.

Original language	English
Article number	055507
Journal	Applied Physics Express
Volume	13
Issue number	5
DOIs	https://doi.org/10.35848/1882-0786/ab8723
Publication status	Published - May 1 2020

All Science Journal Classification (ASJC) codes

Engineering(all)
Physics and Astronomy(all)

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10.35848/1882-0786/ab8723

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title = "Computational study of oxygen stability in vicinal m(10-10)-GaN growth by MOVPE",

abstract = "Using density functional calculations, we clarify the oxygen incorporation mechanism in vicinal m-GaN growth by metal-organic vapor-phase epitaxy. We first identify reconstructed structures of 5° off m-GaN toward the ±c directions. Next, we explore preferable sites for oxygen substitution near step edges. We find that oxygen prefers the lower nitrogen site of the step edge on the +c 5° off m-GaN substrate compared with that on the-c 5° off m-GaN substrate. This tendency agrees with recent experimental findings that the oxygen concentration in-c 5° off m-GaN epilayers is lower than that in +c 5° off m-GaN epilayers.",

author = "Fumiya Shintaku and Daichi Yosho and Yoshihiro Kangawa and Iwata, {Jun Ichi} and Atsushi Oshiyama and Kenji Shiraishi and Atsushi Tanaka and Hiroshi Amano",

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T1 - Computational study of oxygen stability in vicinal m(10-10)-GaN growth by MOVPE

AU - Shintaku, Fumiya

AU - Yosho, Daichi

AU - Kangawa, Yoshihiro

AU - Iwata, Jun Ichi

AU - Oshiyama, Atsushi

AU - Shiraishi, Kenji

AU - Tanaka, Atsushi

AU - Amano, Hiroshi

PY - 2020/5/1

Y1 - 2020/5/1

N2 - Using density functional calculations, we clarify the oxygen incorporation mechanism in vicinal m-GaN growth by metal-organic vapor-phase epitaxy. We first identify reconstructed structures of 5° off m-GaN toward the ±c directions. Next, we explore preferable sites for oxygen substitution near step edges. We find that oxygen prefers the lower nitrogen site of the step edge on the +c 5° off m-GaN substrate compared with that on the-c 5° off m-GaN substrate. This tendency agrees with recent experimental findings that the oxygen concentration in-c 5° off m-GaN epilayers is lower than that in +c 5° off m-GaN epilayers.

AB - Using density functional calculations, we clarify the oxygen incorporation mechanism in vicinal m-GaN growth by metal-organic vapor-phase epitaxy. We first identify reconstructed structures of 5° off m-GaN toward the ±c directions. Next, we explore preferable sites for oxygen substitution near step edges. We find that oxygen prefers the lower nitrogen site of the step edge on the +c 5° off m-GaN substrate compared with that on the-c 5° off m-GaN substrate. This tendency agrees with recent experimental findings that the oxygen concentration in-c 5° off m-GaN epilayers is lower than that in +c 5° off m-GaN epilayers.

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Computational study of oxygen stability in vicinal m(10-10)-GaN growth by MOVPE

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