Si(111)-(2×1) Surface: Buckling, Chains, or Molecules?

Abstract
This Letter presents direct evidence for large displacements parallel to the surface of the atoms in the outer double layer of the cleaved Si(111)-(2×1) surface. This result excludes the buckling model for this surface reconstruction. Comparison of surface blocking patterns, obtained by medium-energy ion channeling and blocking, with computer simulations for the π-bonded chain model shows good agreement between experiment and model. The π-bonded molecule is not in agreement with the data.