Ab initio-based approach on initial growth kinetics of GaN on GaN (0 0 1)

Y. Kangawa, Y. Matsuo, T. Akiyama, T. Ito, K. Shiraishi, K. Kakimoto

Research output: Contribution to journalArticle

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Abstract

We carried out theoretical analyses based on ab initio calculations that incorporate free energy of the vapor phase in order to determine the initial growth process of cubic GaN on GaN (0 0 1)-(4×1). The results suggest that a N-adsorbed structure appears at the initial growth stage and then Ga adsorbs on the N-adsorbed GaN (0 0 1)-(4×1) surface. Considering this process, we performed Monte Carlo simulations. The results suggest that the maximum point of Ga coverage after supplying a frac(1, 32) monolayer of atoms shifted toward a Ga-rich condition from V/III=1.0.

Original languageEnglish
Pages (from-to)75-78
Number of pages4
JournalJournal of Crystal Growth
Volume301-302
Issue numberSPEC. ISS.
DOIs
Publication statusPublished - Apr 1 2007

Fingerprint

Growth kinetics
supplying
kinetics
Free energy
Monolayers
free energy
Vapors
vapor phases
Atoms
atoms
simulation
Monte Carlo simulation

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Ab initio-based approach on initial growth kinetics of GaN on GaN (0 0 1). / Kangawa, Y.; Matsuo, Y.; Akiyama, T.; Ito, T.; Shiraishi, K.; Kakimoto, K.

In: Journal of Crystal Growth, Vol. 301-302, No. SPEC. ISS., 01.04.2007, p. 75-78.

Research output: Contribution to journalArticle

Kangawa, Y. ; Matsuo, Y. ; Akiyama, T. ; Ito, T. ; Shiraishi, K. ; Kakimoto, K. / Ab initio-based approach on initial growth kinetics of GaN on GaN (0 0 1). In: Journal of Crystal Growth. 2007 ; Vol. 301-302, No. SPEC. ISS. pp. 75-78.
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AU - Matsuo, Y.

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AU - Shiraishi, K.

AU - Kakimoto, K.

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AB - We carried out theoretical analyses based on ab initio calculations that incorporate free energy of the vapor phase in order to determine the initial growth process of cubic GaN on GaN (0 0 1)-(4×1). The results suggest that a N-adsorbed structure appears at the initial growth stage and then Ga adsorbs on the N-adsorbed GaN (0 0 1)-(4×1) surface. Considering this process, we performed Monte Carlo simulations. The results suggest that the maximum point of Ga coverage after supplying a frac(1, 32) monolayer of atoms shifted toward a Ga-rich condition from V/III=1.0.

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