• Raghani Pushpa

      Articles written in Bulletin of Materials Science

    • Double stripe reconstruction of the Pt(111) surface

      Raghani Pushpa Shobhana Narasimhan

      More Details Abstract Fulltext PDF

      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 Å. 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.

  • Bulletin of Materials Science | News

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2017-2019 Indian Academy of Sciences, Bengaluru.