Para to ortho transition of metallic dimers on Si(001)
Para to ortho transition of metallic dimers on Si(001)
Extensive electronic structure calculations are performed to obtain the stable geometries of metals like Al, Ga, and In on the Si(001) surface at 0.5 ML(monolayer) and 1 ML coverages. Our results coupled with previous theoretical findings explain the recent experimental data in a comprehensive fashion. At low coverages, as shown …