UNSPECIFIED (2002) Tensor LEED analysis of the Ni(111)(root 3x root 3)R30 degrees-Pb surface. PHYSICAL REVIEW B, 65 (23). -. doi:10.1103/PhysRevB.65.233404

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Abstract

The structure of the Ni(111)(root3xroot3)R30degrees-Pb surface has been determined by quantitative low-energy electron diffraction (LEED), using multiple-scattering simulations of the measured diffracted beam intensities with a tensor-LEED program. The results confirm that the surface comprises a single-layer substitutional alloy of stoichiometry Ni2Pb (with all atoms in "fcc" sites relative to the underlying Ni) and clearly excludes a surface/subsurface stacking fault (with occupation of "hcp" sites) like that found for similar phases of Sb on Cu(111) and Ag(111). Within the surface alloy layer the Pb atoms are 0.73+/-0.05-Angstrom higher above the surface than the surrounding Ni atoms in the alloy layer. This magnitude of rumpling is in excellent agreement with a recent medium-energy ion scattering investigation of this surface, but is significantly larger than that of an earlier low-energy ion scattering investigation. Compared to the rumpling amplitude of 1.67 Angstrom expected from a simple hard-sphere model based on bulk metallic radii, however, it confirms a strong reduction of the effective atomic radii in this surface alloy.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Journal or Publication Title:	PHYSICAL REVIEW B
Publisher:	AMERICAN PHYSICAL SOC
ISSN:	1098-0121
Official Date:	15 June 2002
Dates:	Date Event 15 June 2002 UNSPECIFIED
Volume:	65
Number:	23
Number of Pages:	4
Page Range:	-
DOI:	10.1103/PhysRevB.65.233404
Publication Status:	Published

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