Mechanism for enhanced single-crystal GaN growth in the C-assisted Na-flux method

• Takahiro Kawamura

• Hiroki Imabayashi

• Mihoko Maruyama

• Mamoru Imade

• Masashi Yoshimura

• Yusuke Mori

• Yoshitada Morikawa

Abstract

First-principles molecular dynamics simulations are used to examine the effect of C addition in Na-flux growth of GaN. The mechanism for suppression of polycrystalline growth and the enhancement of single-crystal growth was identified by systematically calculating activation free energies for the formation and dissociation of C–N bonds. The energy barrier for C–N dissociation in a Ga–Na melt is ≥3 eV; thus, dissociation is inhibited and the growth of polycrystals is suppressed. However, at kink sites at a Na/GaN interface with excess Ga atoms, the barrier is only ∼1.0 eV, allowing C–N dissociation and growth of GaN single crystals.

Journal

• Applied Physics Express

  Applied Physics Express 9 (1), 015601-, 2015-12-18

  IOP Publishing

Keywords

• General Physics and Astronomy
• General Engineering

Details

• CRID: 1360566399837898240
• NII Article ID: 210000137759
• DOI: 10.7567/apex.9.015601
• ISSN: 18820786
• ISSN: 18820778
• ISSN: http://id.crossref.org/issn/18820786
• Web Site: https://iopscience.iop.org/article/10.7567/APEX.9.015601
• Web Site: https://iopscience.iop.org/article/10.7567/APEX.9.015601/pdf
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