Angle-resolved photoemission extended fine-structure study of the structure of [ital p](2[times]2)K/Ni(111)

Journal Article · Sat May 15 04:00:00 EDT 1993 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.47.13626· OSTI ID:6517853

Huang, Z; Wang, L Q; Schach von Wittenau, A E; Hussain, Z ^[1]; Shirley, D A ^[2]

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1. Department of Chemistry, University of California, Berkeley, California 94720 (United States) Chemical Sciences Division, Mail Stop 2-300, Lawrence Berkeley Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States)
2. Departments of Chemistry and Physics, Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

Angle-resolved photoemission extended fine structure (ARPEFS) from the potassium 1[ital s] core level was measured for the quantitative structural determination of the [ital p](2[times]2)K/Ni(111) overlayer at 130 K. Our analysis of the ARPEFS [chi]([ital k]) curves detected along [111] and [771] showed that the potassium atoms are preferentially adsorbed on the atop sites, in agreement with a previous low-energy-electron-diffraction (LEED) study of the same system. The K-Ni bond length is 3.02[plus minus]0.01 A, yielding an effective hard-sphere radius of 1.77 A for potassium. The first-to-second-layer spacing of nickel is 1.90[plus minus]0.04 A, a 6.5% contraction from the bulk spacing of 2.03 A. Furthermore, the first nickel layer shows neither lateral reconstruction (0.00[plus minus]0.09 A) nor vertical corrugation (0.00[plus minus]0.03 A). A comparison of the structural parameters with those determined from the LEED study is presented. The limitations of Fourier analysis for site determination and the importance of comparing ARPEFS experimental data with theoretical simulations in both [ital k] space and [ital r] space are also discussed.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 6517853
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 47:20; ISSN 0163-1829; ISSN PRBMDO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ALKALI METALS
ANGULAR CORRELATION
BOND LENGTHS
CHEMICAL REACTIONS
CHEMISORPTION
CORRELATIONS
DIMENSIONS
ELEMENTS
EMISSION
EPITAXY
FINE STRUCTURE
LENGTH
METALS
NICKEL
PHOTOEMISSION
POTASSIUM
SECONDARY EMISSION
SEPARATION PROCESSES
SORPTION
SORPTIVE PROPERTIES
SURFACE PROPERTIES
TEMPERATURE DEPENDENCE
TEMPERATURE RANGE
TEMPERATURE RANGE 0065-0273 K
TRANSITION ELEMENTS