We report an observation of a clean-surface reconstruction of a simple metal, a (1 × 3) structure on Be(1120). Kinematic analysis of low-energy electron diffraction indicates that the (1 × 3) reconstruction involves the displacement of atomic chains at the surface. The stabilities of the unrelaxed, bulk terminated surface and two proposed models based on missing rows were calculated using a first-principles pseudopotential method within the local-density approximation. Our results indicate that surface relaxation must be the determining factor in the stability of the reconstruction. Since Be has no occupied d-bands, the mechanism driving the reconstruction must be different from that of transition- and noble-metal missing-row reconstructions.
Bibliographical noteFunding Information:
We would like to thank J. Carpinelli for technical support, and M. Weinert and J.-K. Zuo for helpful discussions. One of us (J.B.H.) would like to thank IBM sup.)ort provided by a Pre-Doctoral Fellowship. This work was supported by the National Science FoundaSon under grant DMR-89-03306, and by the Division of Materials Research, United States Department of Energy, under contract DE-AC02-76CH-00016.