Ab initio studies of GaN epitaxial growth on SiC

R. B. Capaz, H. Lim, and J. D. Joannopoulos
Phys. Rev. B 51, 17755 – Published 15 June 1995
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Abstract

Ab initio methods were used to investigate the initial stages of GaN epitaxial growth on (0001) 6H-SiC. Total energies of four types of interfaces were calculated. Polarity matching at the interface plays a fundamental role in determining the lower-energy structures, yielding strong binding for Si-N and C-Ga interfaces and very weak binding for Si-Ga and C-N. We therefore predict that Si-terminated substrates will produce ideally Ga-terminated films, whereas C-terminated substrates will produce ideally N-terminated films. This prediction suggests reinterpretation of recent experiments.

  • Received 4 January 1995

DOI:https://doi.org/10.1103/PhysRevB.51.17755

©1995 American Physical Society

Authors & Affiliations

R. B. Capaz, H. Lim, and J. D. Joannopoulos

  • Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

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Vol. 51, Iss. 24 — 15 June 1995

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