Surface Structure and Energy Bands of 1/3 ML Sn/Ge(111)

概要

論文の詳細を見る
A Density Functional Theory calculation of the geometrical and electronic structure of the $ \alpha$-phase of Sn/Ge(111) surface is presented. The $3 \times 3$ and $ \sqrt{3} \times \sqrt{3}$ reconstructions are studied in details, performing also band structure calculations and simulating STM images. Our results confirm that the 1U–2D $3 \times 3$ structure is the more favorable one, from an energetic point of view but also from a comparison with the available photoemission and STM experiments. The electronic band structure of the flat $ \sqrt{3} \times \sqrt{3}$ surface, instead, hardly compares with the available photoemission data, thus supporting the idea of a dynamical flipping at room temperature of the Sn adatoms.
2006-03-15