Atomic arrangement and electron band structure of Si(1 1 1)-ß-√3 x √3-Bi reconstruction modified by alkali-metal adsorption: ab initio study.

Using ab initio calculations, atomic structure and electronic properties of Si(1 1 1)[Formula: see text]-Bi surface modified by adsorption of 1/3 monolayer of alkali metals, Li, Na, K, Rb and Cs, have been explored. Upon adsorption of all metals, a similar atomic structure develops at the surface where twisted chained Bi trimers are arranged into a honeycomb network and alkali metal atoms occupy the [Formula: see text] sites in the center of each honeycomb unit. Among other structural characteristics, the greatest variation concerns the relative heights at which alkali metals reside with respect to Bi-trimer layer.

Effect of Na adsorption on the structural and electronic properties of Si(111)√3 × √3-Au surface.

Adsorption of ∼0.1 ML of Na onto the Si(111)√3 × √3-Au surface held at 300 °C has been found to induce pronounced changes in its structural and electronic properties. Domain wall networks, characteristic of the pristine surface, are removed completely, leading to the formation of a highly ordered homogeneous surface.

Doping of magic nanoclusters in the submonolayer In/Si(100) system.

Si(100)4 x 3-In reconstruction is essentially a superlattice of magic (identical-size) Si7In6 nanoclusters. Using scanning tunneling microscopy (STM) observations, we have found that under appropriate growth conditions up to 35% of these clusters can be modified; namely, two Si atoms in the cluster can be replaced by two In atoms, thus forming a Si5In8 cluster. This modification can be considered as a doping of the magic cluster, as it changes the electronic properties of the cluster from semiconducting towards metallic.