Growth and properties of small Co islands on a strained Pt surface

R. F. Sabiryanov, K. Cho, M. I. Larsson, W. D. Nix, B. M. Clemens

Research output: Contribution to journalConference article

7 Citations (Scopus)

Abstract

The effect of strain on the surface diffusion of Co on a Pt surface is studied using first-principles density functional theory. We employed the projector augmented wave method in the 7-layer slab geometry. Co tends to occupy FCC sites except for surfaces under large tensile strain where HCP sites are energetically favorable. We find that energy barrier for single atom diffusion increases linearly with strain. The total energy of adatoms decreases with increase of strain. The magnetization of the Co adatom is around 2 μB. Pt atoms are strongly polarized making the total magnetic moment per Co atom at FCC sites 3.6 μB. The magnetic moment of the system is sensitive to the adatom position and the strain. For the saddle point, for example, the magnetization changes from 3.1 μB per Co atom for an unstrained lattice to 3.8 μB for a 3% compressed lattice. The results suggest that both FCC and HCP islands formation is possible on the strained Pt(1 1 1) surface. Exchange coupling between adatoms is analyzed using Green's function method. There is a strong exchange interaction between Co moments in the small clusters on the surface, suggesting that they should behave like giant moments.

Original languageEnglish (US)
Pages (from-to)365-368
Number of pages4
JournalJournal of Magnetism and Magnetic Materials
Volume258-259
DOIs
StatePublished - Mar 1 2003
EventSecond Moscow International Symposium on Magnetism (MISM) - Moscow, Russian Federation
Duration: Jun 20 2001Jun 24 2001

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Adatoms
adatoms
Atoms
Magnetic moments
atoms
Magnetization
magnetic moments
moments
magnetization
Exchange coupling
Surface diffusion
Tensile strain
Energy barriers
Exchange interactions
projectors
saddle points
surface diffusion
Green's function
Density functional theory
slabs

Keywords

  • Cobalt
  • Diffusion barrier
  • Dimer
  • Exchange interactions
  • Magnetic moments
  • Platinum
  • Small clusters
  • Surface diffusion
  • Surface strain
  • Trimer

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Growth and properties of small Co islands on a strained Pt surface. / Sabiryanov, R. F.; Cho, K.; Larsson, M. I.; Nix, W. D.; Clemens, B. M.

In: Journal of Magnetism and Magnetic Materials, Vol. 258-259, 01.03.2003, p. 365-368.

Research output: Contribution to journalConference article

Sabiryanov, R. F. ; Cho, K. ; Larsson, M. I. ; Nix, W. D. ; Clemens, B. M. / Growth and properties of small Co islands on a strained Pt surface. In: Journal of Magnetism and Magnetic Materials. 2003 ; Vol. 258-259. pp. 365-368.
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AU - Cho, K.

AU - Larsson, M. I.

AU - Nix, W. D.

AU - Clemens, B. M.

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AB - The effect of strain on the surface diffusion of Co on a Pt surface is studied using first-principles density functional theory. We employed the projector augmented wave method in the 7-layer slab geometry. Co tends to occupy FCC sites except for surfaces under large tensile strain where HCP sites are energetically favorable. We find that energy barrier for single atom diffusion increases linearly with strain. The total energy of adatoms decreases with increase of strain. The magnetization of the Co adatom is around 2 μB. Pt atoms are strongly polarized making the total magnetic moment per Co atom at FCC sites 3.6 μB. The magnetic moment of the system is sensitive to the adatom position and the strain. For the saddle point, for example, the magnetization changes from 3.1 μB per Co atom for an unstrained lattice to 3.8 μB for a 3% compressed lattice. The results suggest that both FCC and HCP islands formation is possible on the strained Pt(1 1 1) surface. Exchange coupling between adatoms is analyzed using Green's function method. There is a strong exchange interaction between Co moments in the small clusters on the surface, suggesting that they should behave like giant moments.

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