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 (½, ½) 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 (½, ½)-type wave vector.
© 1980 Optical Society of America
D. J. Chadi, "Reexamination of the Si(100) surface reconstruction," Appl. Opt. 19, 3971-3973 (1980)