Abstract
The investigation, in a companion paper, of the reconstructions of the Ir(100), Pt(100), and Au(100) crystal surfaces is completed here with an extensive analysis of low energy electron diffraction (LEED) intensities, using dynamical (multiple scattering) calculations. It is found that a hexagonal rearrangement of the top monolayer is a likely explanation of the surface reconstruction. At least for Ir and Pt (no calculations were made for Au), this hexagonal layer would have a registry involving bridge sites on the next square unit cell metal layer and it is contracted and buckled. Bond length contractions parallel and perpendicular to the surface occur; the Pt top layer is rotated by a small angle (0.7°) with respect to the substrate. A second model that cannot be ruled out by the LEED analysis, but disagrees with ion-scattering data, involves shifted close-packed rows of top-layer atoms and requires domain structures in the case of Pt and Au. Charge-density-wave and missing-row models are ruled out by our structure analysis. A correlation is found between the occurrence of surface reconstructions on metals and a small ratio of their Debye temperature to their melting point. This correlation singles out mainly the 5d metals as having a propensity to surface reconstruction. The effects of adsorbates on the reconstructions are also discussed.
| Original language | English |
|---|---|
| Pages (from-to) | 218-238 |
| Number of pages | 21 |
| Journal | Surface Science |
| Volume | 103 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - Feb 1 1981 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Surfaces and Interfaces
Cite this
The surface reconstructions of the (100) crystal faces of iridium, platinum and gold. II. Structural determination by LEED intensity analysis. / Van Hove, M. A.; Koestner, R. J.; Stair, Peter C; Bibérian, J. P.; Kesmodel, L. L.; Bartoš, I.; Somorjai, G. A.
In: Surface Science, Vol. 103, No. 1, 01.02.1981, p. 218-238.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The surface reconstructions of the (100) crystal faces of iridium, platinum and gold. II. Structural determination by LEED intensity analysis
AU - Van Hove, M. A.
AU - Koestner, R. J.
AU - Stair, Peter C
AU - Bibérian, J. P.
AU - Kesmodel, L. L.
AU - Bartoš, I.
AU - Somorjai, G. A.
PY - 1981/2/1
Y1 - 1981/2/1
N2 - The investigation, in a companion paper, of the reconstructions of the Ir(100), Pt(100), and Au(100) crystal surfaces is completed here with an extensive analysis of low energy electron diffraction (LEED) intensities, using dynamical (multiple scattering) calculations. It is found that a hexagonal rearrangement of the top monolayer is a likely explanation of the surface reconstruction. At least for Ir and Pt (no calculations were made for Au), this hexagonal layer would have a registry involving bridge sites on the next square unit cell metal layer and it is contracted and buckled. Bond length contractions parallel and perpendicular to the surface occur; the Pt top layer is rotated by a small angle (0.7°) with respect to the substrate. A second model that cannot be ruled out by the LEED analysis, but disagrees with ion-scattering data, involves shifted close-packed rows of top-layer atoms and requires domain structures in the case of Pt and Au. Charge-density-wave and missing-row models are ruled out by our structure analysis. A correlation is found between the occurrence of surface reconstructions on metals and a small ratio of their Debye temperature to their melting point. This correlation singles out mainly the 5d metals as having a propensity to surface reconstruction. The effects of adsorbates on the reconstructions are also discussed.
AB - The investigation, in a companion paper, of the reconstructions of the Ir(100), Pt(100), and Au(100) crystal surfaces is completed here with an extensive analysis of low energy electron diffraction (LEED) intensities, using dynamical (multiple scattering) calculations. It is found that a hexagonal rearrangement of the top monolayer is a likely explanation of the surface reconstruction. At least for Ir and Pt (no calculations were made for Au), this hexagonal layer would have a registry involving bridge sites on the next square unit cell metal layer and it is contracted and buckled. Bond length contractions parallel and perpendicular to the surface occur; the Pt top layer is rotated by a small angle (0.7°) with respect to the substrate. A second model that cannot be ruled out by the LEED analysis, but disagrees with ion-scattering data, involves shifted close-packed rows of top-layer atoms and requires domain structures in the case of Pt and Au. Charge-density-wave and missing-row models are ruled out by our structure analysis. A correlation is found between the occurrence of surface reconstructions on metals and a small ratio of their Debye temperature to their melting point. This correlation singles out mainly the 5d metals as having a propensity to surface reconstruction. The effects of adsorbates on the reconstructions are also discussed.
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U2 - 10.1016/0039-6028(81)90108-4
DO - 10.1016/0039-6028(81)90108-4
M3 - Article
VL - 103
SP - 218
EP - 238
JO - Surface Science
JF - Surface Science
SN - 0039-6028
IS - 1
ER -