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Title: Double stripe reconstruction of the Pt(111) surface
Authors: Pushpa, Raghani
Narasimhan, Shobhana
Keywords: Surface reconstruction
Density functional calculations
Frenkel-Kontorova model
Au(111) Surface
Stress, Relaxation
Issue Date: Jan-2003
Publisher: Indian Academy of Sciences
Citation: Bulletin of Materials Science 26(1), 91-96 (2003)
Abstract: We have studied the reconstruction of the Pt(111) surface theoretically, using a 2D generalization of the Frenkel-Kontorova model. The parameters in the model are obtained by performing ab initio density functional theory calculations. The Pt(111) surface does not reconstruct under normal conditions but experiments have shown that there are two ways to induce the reconstruction: by increasing the temperature, or by depositing adatoms; on the surface. The basic motif of this reconstruction is a 'double stripe' with an increased surface density And alternating hcp and fcc domains, arranged to form a honeycomb pattern with a very large repeat distance of 100-300 Angstrom. In this paper, we have studied the 'double stripe' reconstruction of the Pt(111) surface. In agreement with experiment, we find that it is favourable for the surface to reconstruct in the presence of adatoms, but not otherwise.
Other Identifiers: 0250-4707
Appears in Collections:Research Articles (Shobhana Narasimhan)

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