Structural and optical properties of the Ge(111)-(2 x 1) surface.
We study the two lowest-energy isomers of the Ge(111)-(2 x 1) surface, by a state-of-the-art first-principles calculation of their optical spectra, including the electron-hole interaction effects. A comparison of our results with the available experimental data suggests that, at difference with the silicon case, the stablest isomer differs from the standard "buckled Pandey chains" reconstruction. This conclusion is supported by accurate total-energy results.
Rohlfing
M
M
Institut für Festkörpertheorie, Universität Münster, Wilhelm-Klemm-Strasse 10, 48149 Münster, Germany.
Palummo
M
M
Onida
G
G
Del Sole R