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First principles calculations of the cleaved and annealed Ge(111) surfaces

Takeuchi, Noboru
Tosatti, Erio
Published in Surface Science. 1993, vol. 287/288, no. 1, p. 303-307
Abstract We use ab initio molecular dynamics to study the structural and electronic properties of cleaved and annealed Ge(111) surfaces. New features emerge for both structures. For the (2 × 1) it is found that even though the stable state has a π-bonded chain structure, there are two isomers with the tilt angle of the chain in opposite directions. For the c(2 × 8) we find an asymmetry in the surface unit cell, in agreement with LEED experiments that show weak quarter-order spots. This inequivalence also produces a splitting of the rest atom and adatom dangling bond, which explains recent STM experiments.
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Research group Groupe Weber
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TAKEUCHI, Noboru, SELLONI, Annabella, TOSATTI, Erio. First principles calculations of the cleaved and annealed Ge(111) surfaces. In: Surface Science, 1993, vol. 287/288, n° 1, p. 303-307. doi: 10.1016/0039-6028(93)90791-H https://archive-ouverte.unige.ch/unige:2895

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Deposited on : 2009-09-21

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