The structure of the oxygen induced (1 x 5) reconstruction of V(100)

The adsorption of 1 L oxygen on the V(100) surface at 200 degreesC leads to a (1 x 5) reconstruction. The structure of this surface was determined by scanning tunneling microscopy (STM), low energy electron diffraction (quant itative LEED) and density functional theory calculations. The STM images sh ow dark lines every fifth vanadium lattice constant. Between these (1 x 5) lines, oxygen resides in four-fold coordinated hollow sites with a coverage of approximate to 70%. From the LEED analysis (Pendry R-factor = 0.17) it was found that in the dark lines oxygen adsorbs in bridge sites, in agreeme nt with the ab initio calculations. The driving force behind this reconstru ction is surface stress induced by the vanadium-oxygen bonds. (C) 2001 Else vier Science B.V. All rights reserved.