capaz-prb-51-17755

Data for reference capaz-prb-51-17755

Ab initio studies of GaN epitaxial growth on SiC

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

Physical Review B 51(24), 17755 (1995).

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.

This item is cited by the following items in the database:

Current status of GaN crystal growth by sublimation sandwich technique

Contributed by E. Hellman
Modified by Andrei Nikolaev from shuttle.ioffe.rssi.ru

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