Abstract
A detailed and exhaustive structural analysis by low-energy electron diffraction (LEED) is reported for the C-induced reconstruction of Cu(111), in the system Cu(111) (4 4)-C. A wide LEED energy range allows enhanced sensitivity to the crucial C-metal interface that is buried below the 7-Å-thick molecular layer. The analysis clearly favors a seven-Cu-atom vacancy model (with Pendry R-factor 0.376) over a one-Cu-atom vacancy model ( 0.608) and over nonreconstructed models ( 0.671 for atop site and 0.536 for hcp site). The seven-Cu-atom vacancy forms a (4 4) lattice of bowl-like holes. In each hole, a C molecule can nestle by forming strong bonds (shorter than 2.30 Å) between 15 C atoms of the molecule and 12 Cu atoms of the outermost and second Cu layers.
- Received 9 July 2012
- Publisher error corrected 15 August 2012
DOI:https://doi.org/10.1103/PhysRevB.86.075419
©2012 American Physical Society
Corrections
15 August 2012