[8a-Z02-1~10] 15.4 III-V-group nitride crystals

[8a-Z02-8] Search for TMGa decomposition reaction process in GaN MOVPE growth using ab initio calculation

〇(M2)Soma Sakakibara¹, Masaaki Araidai², Zheng Ye², Syugo Nitta², Yoshio Honda^1,2, Hiroshi Amano^1,2, Kenji Shiraishi^1,2 (1.Grad. Sch. Eng. Nagoya Univ., 2.IMaSS, Nagoya Univ.)

Keywords:metal organic chemical vapor deposition, ab initio calculation

We analyzed the decomposition of Ga(CH₃)₃ (TMG) during the metal organic vapor phase epitaxy (MOVPE) of GaN on the basis of first-principles calculations and thermodynamic analysis. We performed activation energy calculation energy calculations of TMG decomposition and clarified the mechanisms by which H₂ promotes the decomposition of TMG and NH₃ suppresses it. The results presented here concur with recent high resolution mass spectroscopy results.