Transition metals on the MgO(100) surface: Evolution of adsorption characteristics along theseries
- 15 April 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 59 (16) , 11047-11052
- https://doi.org/10.1103/physrevb.59.11047
Abstract
We present a first-principles study of adsorption of 4 transition metals on the stoichiometric MgO (100) surface. We show that although the calculated evolution of adsorption energy along the series depends strongly on the adsorption site, the tendency of metal atoms to adsorb above the surface oxygen proves general. By analyzing the substrate-induced modifications of the electronic structure of the metal deposit we relate nonmonotonous evolution of adsorption energy found for this site to changes of cohesion of the deposited metal.
Keywords
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