MISSING-ROW CONTRACTIVE RECONSTRUCTION ONAu(311)

Furio Ercolessi and Erio Tosatti
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Furio Ercolessi: International School for Advanced Studies (SISSA-ISAS), I-34014 Trieste, Italy;
Erio Tosatti: International School for Advanced Studies (SISSA-ISAS), I-34014 Trieste, Italy;

Surface Review and Letters (SRL), 1997, vol. 04, issue 06, 1109-1113

Abstract: All the low-index surfaces of gold are known to reconstruct, and their vicinals often exhibit magic orientations. The (311) orientation lies in between (100) and (111), and can be regarded as either a (111) or (100) vicinal with a very high step density, or as a flat open surface. In view of rather puzzling reconstructions observed experimentally[(1 × 4), (1 × 5), (1 × 6)], we have undertaken a structural study of Au(311) using the glue model and molecular-dynamics-based simulated annealing. The optical geometry is a(1 × 5)missing-row structure with (111) and reconstructed (100) microfacets, and an alternation of(1 × 2)and(1 × 3)hills. An extra atomic row is present on(1 × 3)hills to optimize packing. The experimentally observed disappearance of the reconstruction between 700 and 750 K is probably associated with an order–disorder transition similar to that of Au(110).

Date: 1997
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DOI: 10.1142/S0218625X97001383

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