G. Brocks et al., ALUMINUM ON SI(100) - GROWTH AND STRUCTURE OF THE 1ST LAYER, Journal of vacuum science & technology. B, Microelectronics and nanometer structures processing, measurement and phenomena, 12(4), 1994, pp. 2705-2708
The growth and the (electronic) structure of a single layer of aluminu
m on the Si(100) surface are examined by means of first principles cal
culations. The calculated local density of states is used to interpret
e scanning tunneling microscopy data. We identify the adsorption sites
that give rise to the polymerization-like one-dimensional growth of A
l. The Al-induced surface states of the p (2 x 2) covered Si(100) surf
ace are calculated. The surface bandgap is increased, as compared to t
he clean Si(100) surface, which means that the first adsorbed Al layer
passivates the surface electrically.