Surface structure of MBE-grown α-Fe2O3(0001) by intermediate-energy X-ray photoelectron diffraction

S. Thevuthasan, Y. J. Kim, S. I. Yi, S. A. Chambers, J. Morais, R. Denecke, C. S. Fadley, P. Liu, T. Kendelewicz, G. E. Brown

Research output: Contribution to journalArticle

104 Citations (Scopus)

Abstract

We have used intermediate-energy X-ray photoelectron diffraction to determine the surface structure of epitaxial α-Fe2O3(0001) grown on α-Al2O3(0001). Comparison of experiment with quantum mechanical scattering theory reveals that the surface is Fe-terminated, and that the first four layer spacings are -41, +18, -8, and 47% of the associated bulk values, respectively. These results agree reasonably well with the predictions of molecular mechanics and spin-density functional theory previously reported in the literature for the Fe-terminated surface. However, we find no evidence for an O-terminated surface predicted to be stable by spin-density functional theory.

Original languageEnglish
Pages (from-to)276-286
Number of pages11
JournalSurface Science
Volume425
Issue number2
DOIs
Publication statusPublished - 20 Apr 1999
Externally publishedYes

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Photoelectrons
Molecular beam epitaxy
Surface structure
photoelectrons
Diffraction
X rays
Density functional theory
diffraction
Molecular mechanics
x rays
density functional theory
energy
Scattering
spacing
predictions
Experiments
scattering

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

Thevuthasan, S., Kim, Y. J., Yi, S. I., Chambers, S. A., Morais, J., Denecke, R., ... Brown, G. E. (1999). Surface structure of MBE-grown α-Fe2O3(0001) by intermediate-energy X-ray photoelectron diffraction. Surface Science, 425(2), 276-286. https://doi.org/10.1016/S0039-6028(99)00200-9

Surface structure of MBE-grown α-Fe2O3(0001) by intermediate-energy X-ray photoelectron diffraction. / Thevuthasan, S.; Kim, Y. J.; Yi, S. I.; Chambers, S. A.; Morais, J.; Denecke, R.; Fadley, C. S.; Liu, P.; Kendelewicz, T.; Brown, G. E.

In: Surface Science, Vol. 425, No. 2, 20.04.1999, p. 276-286.

Research output: Contribution to journalArticle

Thevuthasan, S, Kim, YJ, Yi, SI, Chambers, SA, Morais, J, Denecke, R, Fadley, CS, Liu, P, Kendelewicz, T & Brown, GE 1999, 'Surface structure of MBE-grown α-Fe2O3(0001) by intermediate-energy X-ray photoelectron diffraction', Surface Science, vol. 425, no. 2, pp. 276-286. https://doi.org/10.1016/S0039-6028(99)00200-9
Thevuthasan, S. ; Kim, Y. J. ; Yi, S. I. ; Chambers, S. A. ; Morais, J. ; Denecke, R. ; Fadley, C. S. ; Liu, P. ; Kendelewicz, T. ; Brown, G. E. / Surface structure of MBE-grown α-Fe2O3(0001) by intermediate-energy X-ray photoelectron diffraction. In: Surface Science. 1999 ; Vol. 425, No. 2. pp. 276-286.
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