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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/38777
Record Status
Checked
Record Id
38777
Title
Revisiting the surface structure of TiO2(110) : A quantitative low-energy electron diffraction study
Contributors
R Lindsay
,
A Wander
,
A Ernst
,
B Montanari
,
G Thornton
,
NM Harrison
Abstract
The relaxation of the prototypical metal oxide surface, rutile TiO2(110)1x1 has been elucidated using quantitative low energy electron diffraction. Successful structure determination entailed the development of adjustable parameter free self-consistent phase shifts, which provide a more reliable description of the electron scattering than traditional approaches. The resulting optimised structure is remarkably consistent with that emerging from recent state of the art ab initio calculations. Additionally, the impact of soft surface vibrational modes on the structure determination has been investigated. It was found that the soft surface mode identified in this study has no significant bearing on the interpretation of the LEED-IV data, in contrast to suggestions in the literature.
Organisation
CCLRC
,
CSE
,
CSE-CMSG
Keywords
Funding Information
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Language
English (EN)
Type
Details
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Year
Journal Article
Phys Rev Lett
94, no. 24 (2005): 246102.
doi:10.1103/PhysRevLett.94.246102
2005
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