Publications in Scientific Journals:
W. Bergermayer, R. Koller, C. Konvicka, M. Schmid, G. Kresse, J. Redinger, P. Varga, R. Podloucky:
"Superstructures of carbon on V(100)";
Carbon adsorption on V(100) was studied by both experimental methods and density functional theory. At low carbon coverages of ΘC = 0.18
ML and oxygen below the experimental detection limit, measured scanning tunneling microscopy (STM) images show both areas of local c(2x2)
structure and <010> oriented rows of C atoms. At higher coverages of ΘC = 0.41 ML, mainly <010> oriented C rows with some local p(1x2)
patterns are formed. The observed c(2x2) pattern is attributed to the presence of oxygen, since a mixture of carbon and oxygen favours the c(2x2)
superstructure according to both the STM and the ab initio results. The calculations show that for ΘC = 0.50 ML the p(1x2) structure is more
stable than c(2x2) by 0.13 eV per adsorbed atom. From the ab initio results it is predicted that p(1x2) changes into c(2x2) at a mixed coverage of
about ΘC = 0.37 ML and ΘO = 0.13 ML. The geometry of the c(2x2) structure was determined using quantitative LEED showing good
agreement with the ab initio data. Also the simulated STM images agree well with the experimental STM data.
Electronic version of the publication:
Created from the Publication Database of the Vienna University of Technology.