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Title: Mixing and magnetic properties of surface alloys: The role of the substrate
Authors: Marathe, Madhura
Imam, Mighfar
Narasimhan, Shobhana
Keywords: Surface alloys
Density functional theory
Issue Date: 30-Oct-2009
Publisher: Elsevier Science BV
Citation: Applied Surface Science 256(2), 449–454 (2009)
Abstract: In this paper, we have performed ab initio density functional theory calculations to compare the miscibility and magnetic properties of two-dimensional binary surface alloys of the form MxN1-x (M = Fe or Co; N = Pt, Au, Ag, Cd or Pb) on two different substrates - Rh(1 1 1) and Ru(0 0 0 1). The trends in miscibility for the two substrates are found to be strikingly similar. The magnetic moments show qualitatively similar behavior, but their magnitudes differ: surface alloys on Rh(1 1 1) have larger magnetic moments than on Ru(0 0 0 1). We infer that strain plays the determining role in stabilizing these two-dimensional alloys, whereas the differences in magnetic moments can be ultimately attributed to the different number of d-electrons in Rh and Ru. (C) 2009 Elsevier B. V. All rights reserved.
Description: Restricted Access
Other Identifiers: 0169-4332
Appears in Collections:Research Articles (Shobhana Narasimhan)

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