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 |
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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
Cite this
First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface. / Dag, S.; Shaughnessy, M.; Fong, C. Y.; Zhu, X. D.; Yang, L. H.
In: Physica B: Condensed Matter, Vol. 407, No. 12, 15.06.2012, p. 2100-2104.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface
AU - Dag, S.
AU - Shaughnessy, M.
AU - Fong, C. Y.
AU - Zhu, X. D.
AU - Yang, L. H.
PY - 2012/6/15
Y1 - 2012/6/15
N2 - 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.
AB - 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.
KW - Adsorption
KW - Charge accumulation
KW - Nb(1 1 0) surface
UR - http://www.scopus.com/inward/record.url?scp=84862798971&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84862798971&partnerID=8YFLogxK
U2 - 10.1016/j.physb.2012.02.014
DO - 10.1016/j.physb.2012.02.014
M3 - Article
AN - SCOPUS:84862798971
VL - 407
SP - 2100
EP - 2104
JO - Physica B: Condensed Matter
JF - Physica B: Condensed Matter
SN - 0921-4526
IS - 12
ER -