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

N. Takeuchi, Annabella Selloni, E. Tosatti

Research output: Contribution to journalArticlepeer-review

7 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)303-307
Number of pages5
JournalSurface Science
Issue numberPART 1
StatePublished - May 10 1993

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry


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