First principles studies of a Xe atom adsorbed on Nb(1Â 1Â 0) surface

We study adsorption sites of a single Xe adatom on Nb(1 1 0) surface using a density functional theory approach: the on-top site is the most favorable position for adsorption. We compare the binding features of the present study to earlier studies of a Xe adatom on close-packed (1 1 1) surfaces of face-centered cubic metals. The different features are attributed through a microscopic picture to the less than half filled d-states in Nb.