Multilayer lattice relaxation at metal surfaces
- 15 May 1983
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 27 (10) , 6534-6537
- https://doi.org/10.1103/physrevb.27.6534
Abstract
Relaxation at simple metal surfaces is studied via minimization of the total energy of a semi-infinite crystal. Systematic analysis of the contributions to the total energy demonstrates the importance of a proper, three-dimensional treatment of electronic response. Multilayer relaxation is shown to be essential for quantitative predictions. Results for the low-index faces of Na and for A1(110) are presented. Good agreement with detailed low-energy electron diffraction data for oscillatory multilayer relaxation in A1(110) is obtained.Keywords
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