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) |
|---|---|
| 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
Fingerprint Dive into the research topics of 'First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface'. Together they form a unique fingerprint.
Cite this
Dag, S., Shaughnessy, M., Fong, C. Y., Zhu, X. D., & Yang, L. H. (2012). First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface. Physica B: Condensed Matter, 407(12), 2100-2104. https://doi.org/10.1016/j.physb.2012.02.014