Published in Phys. Rev. Lett. 79, 3934 (1997).
Reconstructions of the GaN(0001) Surface
A. R. Smith, R. M. Feenstra
Department of Physics, Carnegie Mellon University,
Pittsburgh, Pennsylvania 15213
D. W. Greve
Department of Electrical and Computer Engineering, Carnegie Mellon University,
Pittsburgh, Pennsylvania 15213
J. Neugebauer
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany
J. E. Northrup
Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94304
Abstract
Reconstructions of the GaN(0001) surface are studied for the
first time. Using scanning tunneling microscopy and reflection
high-energy electron diffraction, four primary structures are
observed: 1×1, 3×3, 6×6, c(6×12). On
the basis of first-principles calculations, the 1×1 structure
is shown to consist of a Ga monolayer bonded to a N-terminated GaN
bilayer. From a combination of experiment and theory, it is argued
that the 3×3 structure is an adatom-on-adlayer structure with
one additional Ga atom per 3×3 unit cell.
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