C. Girardeaux, et al.
J. Phys. IV France 132 (2006) 91-94
Surface structure and energy bands of 1/3 ML Sn/Ge(111)P. Gori1, O. Pulci2 and A. Cricenti1
1 Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, Rome, Italy
2 INFM, Department of Physics, University of Rome Tor Vergata, Italy
The geometrical and electronic structure of 1/3 monolayer of Sn on the Ge(111) surface is investigated within density functional theory. The well known and reconstructions are studied in details, performing also band structure calculations and simulating STM images. Our results confirm that the 1U-2D structure is the more favorable one, not only from an energetic point of view but also from a comparison with STM experiments. On the other hand, the static room temperature electronic band structure of the hardly compares with the available photoemission data, thus supporting the idea of a dynamical flipping of the Sn ad-atoms.
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