Energetics of Surface Multilayer Relaxation on W (001): Evidence for Short-Range Screening
- 13 August 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 53 (7), 675-678
- https://doi.org/10.1103/physrevlett.53.675
Abstract
Multilayer relaxation of the W (001) surface is explored by the all-electron local-density-functional total-energy approach. In agreement with recent experiments, we find a contraction of the topmost interlayer spacing by 5.7%. Surprisingly, the amount of this contraction is independent of the relaxation of the inner layers, which are predicted to be expanded by 2.4% and 1.2% for the second and third interlayer spacings, respectively. Thus, the driving mechanism for the relaxation process appears to be of a local nature because of short-range screening effects at the transition-metal surface.Keywords
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