AVS 45th International Symposium
    Surface Science Division Monday Sessions
       Session SS1-MoM

Paper SS1-MoM1
The Physical Origin of Surface Relaxation@footnote 1@

Monday, November 2, 1998, 8:20 am, Room 308

Session: Issues in Surface Electronic Structure
Presenter: T. Zhang, University of Tennessee, Knoxville
Authors: T. Zhang, University of Tennessee, Knoxville
J.-H. Cho, Oak Ridge National Laboratory
E.W. Plummer, University of Tennessee, Knoxville
Z. Zhang, Oak Ridge National Laboratory
Correspondent: Click to Email
The subtantial difference in the valence charge distributions between sp and df metals can be so large that for hcp (0001) surfaces, the first inter-layer spacing of berillium will expand while that of zirconium will contract. This difference in relaxation can be traced to a difference in the direction of the traditional Smoluchowsky charge smoothing at the two surfaces. The failure of the Finnis-Heine (FH) picture in explaining material dependence of surface relaxation lies in its neglect of this critical difference in valence charge distributions. This work is supported by Oak Ridge National Laboratory, managed by Lockheed Martin Energy Research Corporation for the U.S. Department of Energy under contract number DE-AC05-96OR22464 @FootnoteText@ @footnote 1@ Tianjiao Zhang, Jun-Hyung Cho, E.Ward Plummer, Zhenyu Zhang, submitted to Physical Review Letters @footnote 2@ R. Smoluchowsky, Physical Review,60,661(1941) @footnote 3@ M W Finnis and Volker Heine, J. Phys. F: Metal Phys., 4, L37(1974)