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Surface X-ray diffraction on clean and Cs-covered Ag(001)

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 212 Issue 5

Abstract

We have studied the structure of the clean and Cs covered Ag(001) surface, using surface X-ray diffraction. For the clean unreconstructed Ag(001) surface the analysis of the integer-order crystal truncation rods gives evidence for a compression of the first interlayer spacing relative to the bulk by Δd12/dbulk = −0.8(8)%, whereas for the second interlayer spacing we obtain an expansion of Δd23/dbulk = 1.0(8)%. For the first two Ag layers we observe enhanced thermal disorder as expressed by the isotropic mean-squared displacement amplitude, U = 0.011(1) Å2 at 340 K relative to the bulk value of 0.009 Å2 at this temperature. Our X-ray results for Ag(001) are in good agreement with previous experimental and theoretical results. The adsorption of 0.25 ML (1 ML = 1.25 × 1015 adatoms/cm2) Cs on the Ag(001) surface at 170 K leads to the formation of a c(2 × 4) superstructure. The Cs atoms are found to occupy fourfold hollow sites at dCs = 2.49(20) Å above the Ag(001) surface thereby shifting the underlying Ag atoms laterally by 0.029(5) Å from their bulk positions. From the adsorption height we derive an effective Cs radius of 1.78(16) Å. Large anisotropic disorder is observed for the Cs adatoms. Within the harmonic approximation we derive mean-squared displacement amplitudes of U11 = 0.08(1) Å2, U22 = 0.10(1) Å2 and U33 = 0.27(3) Å2. An alternative model, suggested by the very large value of U33, was also tried, in which there are 15% of Ag vacancies in the top layer and a lower Cs site. This ‘unusual’ model is discussed in the context of current theories of alkali metal induced reconstructions.

Published Online: 2010-7-28
Published in Print: 1997-5-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

Articles in the same Issue

  1. Surface X-ray diffraction on clean and Cs-covered Ag(001)
  2. On the structure of mathematical expressions and crystals
  3. On new settings in some centrosymmetric space groups: an apparently paradoxical situation
  4. Towards the structure determination of proteins from the near edge anomalous dispersion of sulphur: a comparison of first results from trypsin with the known structure
  5. The crystal structures of the cryptates Ag(C222)X, X = ClO4−, NO3−, ClO3−, BrO3−, IO4−, ReO4−, BF4−, PF6−, AsF6−, and Na(C222)X, X = ClO4−, IO4−, ReO4−
  6. Crystal structure of three diaza-crowns-18
  7. The crystal structure and disorder in tetrapropylammonium tetrafluoroborate, (n-C3H7)4NBF4
  8. Crystal and molecular structure of unsubstituted and p-methoxy-substituted acetylbenzoylmethanatoboron difluoride
  9. Structure of 2,10 dichloro 6-(2,3 dimethylphenoxy) dibenzo [d,g] [1,3,6,2]dioxathiaphosphocin 6-sulphide
  10. Crystal structure of bis(triisopropylphosphin)dibromonickel(II), [Ni(Pi-(C3H7)3)2Br2]
  11. Crystal structure of bromo(tricarbonyl)(cyclopentadienyl) molybdenum(II), (C5H5)Mo(CO)3Br
  12. Crystal structure of metaclopromide tetrathiocyanatocobaltate, C28H44O4N6Cl2 · [Co(NCS)4]
  13. Crystal structure of 4-cyanophenyl 4-heptylbenzoate, H3C(CH2)6(C6H4)O(CO)(C6H4)CN
  14. Crystal structure of N-p-methoxybenzylidene p-phenylazoaniline, HCO(C6H4)CN(C6H4)NN(C6H5)
  15. Crystal structure of 2-chlorophenol morpholino complex, (C6H4OCl)2(C4H10ON)
  16. Crystal structure of lignocaine tetrabromozincate, (C14H22ON2)4(ZnBr4)2
  17. Crystal structure of 1:2;7:8-dibenzo-3,6,15,18-tetraaza-tricyclo[13.3.0.02,6] octadeca-1(18),2,4,10,16-pentaene-8,12-diyne, C22H14N4
  18. Crystal structure of 11:12-benzo-13:14-naphtho-1,10-diazabicyclo[8.2.2] tetradeca-5,11,13-triene-3,7-diyne dichloromethane solvate, C22H14N4 · CH2Cl2
  19. Crystal structure of 5-(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-tri-tert-butyl-2-oxo-bicyclo[4.1.0]hept-3-ene, C34H54O2
  20. Biokompatible Werkstoffe und Bauweisen. Implantate für Medizin und Umwelt
  21. Grundlagen der Festkörperphysik
  22. Crystallography
  23. Quasicrystals and Geometry
  24. Tables of Physical and Chemical Constants
  25. Praktische Physik
https://doi.org/10.1524/zkri.1997.212.5.327

Articles in the same Issue

  1. Surface X-ray diffraction on clean and Cs-covered Ag(001)
  2. On the structure of mathematical expressions and crystals
  3. On new settings in some centrosymmetric space groups: an apparently paradoxical situation
  4. Towards the structure determination of proteins from the near edge anomalous dispersion of sulphur: a comparison of first results from trypsin with the known structure
  5. The crystal structures of the cryptates Ag(C222)X, X = ClO4−, NO3−, ClO3−, BrO3−, IO4−, ReO4−, BF4−, PF6−, AsF6−, and Na(C222)X, X = ClO4−, IO4−, ReO4−
  6. Crystal structure of three diaza-crowns-18
  7. The crystal structure and disorder in tetrapropylammonium tetrafluoroborate, (n-C3H7)4NBF4
  8. Crystal and molecular structure of unsubstituted and p-methoxy-substituted acetylbenzoylmethanatoboron difluoride
  9. Structure of 2,10 dichloro 6-(2,3 dimethylphenoxy) dibenzo [d,g] [1,3,6,2]dioxathiaphosphocin 6-sulphide
  10. Crystal structure of bis(triisopropylphosphin)dibromonickel(II), [Ni(Pi-(C3H7)3)2Br2]
  11. Crystal structure of bromo(tricarbonyl)(cyclopentadienyl) molybdenum(II), (C5H5)Mo(CO)3Br
  12. Crystal structure of metaclopromide tetrathiocyanatocobaltate, C28H44O4N6Cl2 · [Co(NCS)4]
  13. Crystal structure of 4-cyanophenyl 4-heptylbenzoate, H3C(CH2)6(C6H4)O(CO)(C6H4)CN
  14. Crystal structure of N-p-methoxybenzylidene p-phenylazoaniline, HCO(C6H4)CN(C6H4)NN(C6H5)
  15. Crystal structure of 2-chlorophenol morpholino complex, (C6H4OCl)2(C4H10ON)
  16. Crystal structure of lignocaine tetrabromozincate, (C14H22ON2)4(ZnBr4)2
  17. Crystal structure of 1:2;7:8-dibenzo-3,6,15,18-tetraaza-tricyclo[13.3.0.02,6] octadeca-1(18),2,4,10,16-pentaene-8,12-diyne, C22H14N4
  18. Crystal structure of 11:12-benzo-13:14-naphtho-1,10-diazabicyclo[8.2.2] tetradeca-5,11,13-triene-3,7-diyne dichloromethane solvate, C22H14N4 · CH2Cl2
  19. Crystal structure of 5-(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-tri-tert-butyl-2-oxo-bicyclo[4.1.0]hept-3-ene, C34H54O2
  20. Biokompatible Werkstoffe und Bauweisen. Implantate für Medizin und Umwelt
  21. Grundlagen der Festkörperphysik
  22. Crystallography
  23. Quasicrystals and Geometry
  24. Tables of Physical and Chemical Constants
  25. Praktische Physik
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