A LEED determination of the structures of Ru(001) and of CO Ru(001)-√3 × √3 R30°

G. Michalk; W. Moritz; H. Pfnür; D. Menzel

doi:10.1016/0039-6028(83)90096-1

A LEED determination of the structures of Ru(001) and of CO Ru(001)-√3 × √3 R30°

G. Michalk, W. Moritz, H. Pfnür, D. Menzel

Chair of Experimental Physics

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Abstract

The structures of Ru(001) and of the √3 × √3 R30° overlayer of CO on Ru(001) have been determined by LEED I-V measurements and comparison to calculations. Special attention was paid to accurate angular alignment, selection of a well-ordered portion of the surface, and avoidance of beam-induced changes of the CO layer. Five orders of reflexes over a range of 300 eV each were used for the clean surface and 7 orders over 200 eV each for the CO superstructure. For the clean surface, a slight contraction of the first layer spacing (by 2%) was found which gave r-factors of 0.04 (Zanazzi-Jona) and 0.16 (Pendry) for 5 non-degenerate beams. For the CO structure the most probable geometry is the on-top site with spacings d(RuC) = 2.0 ± 0.1 A ̊andd(CO) = 1.10 ± 0.1 A ̊ (r_ZJ = 0.21; r_P = 0.51). The two threefold hollow and the bridge sites can be clearly excluded.

Original language	English
Pages (from-to)	92-106
Number of pages	15
Journal	Surface Science
Volume	129
Issue number	1
DOIs	https://doi.org/10.1016/0039-6028(83)90096-1
State	Published - 2 Jun 1983

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title = "A LEED determination of the structures of Ru(001) and of CO Ru(001)-√3 × √3 R30°",

abstract = "The structures of Ru(001) and of the √3 × √3 R30° overlayer of CO on Ru(001) have been determined by LEED I-V measurements and comparison to calculations. Special attention was paid to accurate angular alignment, selection of a well-ordered portion of the surface, and avoidance of beam-induced changes of the CO layer. Five orders of reflexes over a range of 300 eV each were used for the clean surface and 7 orders over 200 eV each for the CO superstructure. For the clean surface, a slight contraction of the first layer spacing (by 2%) was found which gave r-factors of 0.04 (Zanazzi-Jona) and 0.16 (Pendry) for 5 non-degenerate beams. For the CO structure the most probable geometry is the on-top site with spacings d(RuC) = 2.0 ± 0.1 A ̊andd(CO) = 1.10 ± 0.1 A ̊ (rZJ = 0.21; rP = 0.51). The two threefold hollow and the bridge sites can be clearly excluded.",

author = "G. Michalk and W. Moritz and H. Pfn{\"u}r and D. Menzel",

note = "Funding Information: This work is a collaborative effort of Sonderforschungsbereich 128 and has been supported by the Deutsche Forschungsgemeinschaft.",

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doi = "10.1016/0039-6028(83)90096-1",

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T1 - A LEED determination of the structures of Ru(001) and of CO Ru(001)-√3 × √3 R30°

AU - Michalk, G.

AU - Moritz, W.

AU - Pfnür, H.

AU - Menzel, D.

N1 - Funding Information: This work is a collaborative effort of Sonderforschungsbereich 128 and has been supported by the Deutsche Forschungsgemeinschaft.

PY - 1983/6/2

Y1 - 1983/6/2

N2 - The structures of Ru(001) and of the √3 × √3 R30° overlayer of CO on Ru(001) have been determined by LEED I-V measurements and comparison to calculations. Special attention was paid to accurate angular alignment, selection of a well-ordered portion of the surface, and avoidance of beam-induced changes of the CO layer. Five orders of reflexes over a range of 300 eV each were used for the clean surface and 7 orders over 200 eV each for the CO superstructure. For the clean surface, a slight contraction of the first layer spacing (by 2%) was found which gave r-factors of 0.04 (Zanazzi-Jona) and 0.16 (Pendry) for 5 non-degenerate beams. For the CO structure the most probable geometry is the on-top site with spacings d(RuC) = 2.0 ± 0.1 A ̊andd(CO) = 1.10 ± 0.1 A ̊ (rZJ = 0.21; rP = 0.51). The two threefold hollow and the bridge sites can be clearly excluded.

AB - The structures of Ru(001) and of the √3 × √3 R30° overlayer of CO on Ru(001) have been determined by LEED I-V measurements and comparison to calculations. Special attention was paid to accurate angular alignment, selection of a well-ordered portion of the surface, and avoidance of beam-induced changes of the CO layer. Five orders of reflexes over a range of 300 eV each were used for the clean surface and 7 orders over 200 eV each for the CO superstructure. For the clean surface, a slight contraction of the first layer spacing (by 2%) was found which gave r-factors of 0.04 (Zanazzi-Jona) and 0.16 (Pendry) for 5 non-degenerate beams. For the CO structure the most probable geometry is the on-top site with spacings d(RuC) = 2.0 ± 0.1 A ̊andd(CO) = 1.10 ± 0.1 A ̊ (rZJ = 0.21; rP = 0.51). The two threefold hollow and the bridge sites can be clearly excluded.

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DO - 10.1016/0039-6028(83)90096-1

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A LEED determination of the structures of Ru(001) and of CO Ru(001)-√3 × √3 R30°

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