Abstract

Arguments in favor of 2 × 2-type reconstructions and against a purely 2 × 1 reconstruction on the Si(100) surface are presented. These are based on (1) total-energy calculations, (2) the extra (1/2, 1/2) diffuse intensities observed in He and electron diffraction experiments, (3) a comparison of the experimental and calculated surface state band dispersions, and (4) the observation in angle resolved photoemission measurements of two surface states with equal binding energies but differing by a (1/2, 1/2)-type wave vector.

© 1980 Optical Society of America

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