AVS 46th International Symposium
    Surface Science Division Tuesday Sessions
       Session SS1+EM-TuA

Paper SS1+EM-TuA7
Surface Structure Determination of Yttrium-Stabilized ZrO@sub 2@(001) Surface Using X-Ray Photoelectron Diffraction

Tuesday, October 26, 1999, 4:00 pm, Room 606

Session: Oxides: Growth and Structure
Presenter: S. Thevuthasan, Pacific Northwest National Laboratory
Authors: S. Thevuthasan, Pacific Northwest National Laboratory
S.I. Yi, Pacific Northwest National Laboratory
Y.-J. Kim, Taejon National University of Technology, Korea
T.T. Tran, Pacific Northwest National Laboratory
S.A. Chambers, Pacific Northwest National Laboratory
C.H.F. Peden, Pacific Northwest National Laboratory
Correspondent: Click to Email
The physical and chemical properties of oxide surfaces are strongly influenced by several structural properties. As such, there is a growing interest in determining surface termination and relaxation in single crystal oxides. The yttrium-stabilized ZrO@sub 2@(001) surface can in principle be either O terminated or Zr terminated. However, neither of these surfaces is autocompensated as a (1x1) structure. The Zr terminated @sr@2x@sr@2)R45@super o@ reconstruction is autocompensated. It was recently reported that the CeO@sub 2@(001)surface, which is similar to ZrO@sub 2@(001), is terminated with 0.5 monolayers of oxygen.@footnote 1@ We have carried out low-takeoff-angle x-ray photoelectron diffraction (XPD) measurements using Zr 3d, Y 3d and O1s core levels on a oxygen-plasma-cleaned ZrO@sub 2@(001) surface to determine the surface structure. Low-energy electron diffraction data show broad (1x1) spots that are characteristic of many oxide surfaces, and no half-order spots are visible. Currently single and multiple scattering simulations and R-factor analysis are being performed using model clusters generated using both O and Zr terminated surfaces. Preliminary analysis indicates that the surface is Zr terminated with the first layer spacing contracted by 23% relative to the bulk interlayer spacing. Detailed analysis is in progress and results will be presented at the meeting. @FootnoteText@ @footnote 1@G.S. Herman, Phys. Rev. B Rapid Comm. (in press). Work supported by the U.S. Department of Energy (DOE), Offices of Basic Energy Sciences, Division of Chemical Sciences and the DOE's Environmental Management Science Program.