Abstract
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.
Original language | English (US) |
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Pages (from-to) | 2100-2104 |
Number of pages | 5 |
Journal | Physica B: Condensed Matter |
Volume | 407 |
Issue number | 12 |
DOIs | |
State | Published - Jun 15 2012 |
Keywords
- Adsorption
- Charge accumulation
- Nb(1 1 0) surface
ASJC Scopus subject areas
- Condensed Matter Physics
- Electronic, Optical and Magnetic Materials
- Electrical and Electronic Engineering