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• W1972562181 startingPage "1696" @default.
• W1972562181 abstract "The technique of angle-resolved photoemission extended fine structure has been used to study the chemisorption geometry of the dense p2mg(2ifmmodetimeselsetexttimesfi{}1)CO/Ni(110) overlayer at low temperatures. Photoemission intensities from the carbon 1s core level were measured in three directions as a function of photoelectron kinetic energy in the range 60--400 eV. Using multiple-scattering spherical-wave (MSSW) modeling, we confirmed that the CO molecules form a zigzag-chain geometry on the Ni(110) surface at saturation coverage, with adjacent CO molecules along the [11ifmmodebarelsetextasciimacronfi{}0] direction displaced alternatively in opposite directions towards the [001] and the [001ifmmodebarelsetextasciimacronfi{}] azimuths. We further determined that the CO molecules are adsorbed on the short-bridge sites, the tilt angle for the direction linking the carbon atom and the center of the nickel bridge being 16ifmmode^circelsetextdegreefi{}ifmmodepmelsetextpmfi{}2ifmmode^circelsetextdegreefi{} from the surface normal. The carbon-nickel interatomic distance was determined to be 1.94ifmmodepmelsetextpmfi{}0.02 AA{}. The first- to second-layer spacing of nickel is 1.27ifmmodepmelsetextpmfi{}0.04 AA{}, up from 1.10 AA{} for the clean Ni(110) surface, but close to the 1.25-AA{} Ni interlayer spacing in the bulk. Using the findings of earlier studies of this system, the C-O bond length and tilt angle were varied within small ranges (1.10--1.20 AA{} and 15ifmmode^circelsetextdegreefi{}--23ifmmode^circelsetextdegreefi{}, respectively) in our MSSW simulations. At 1.16 AA{} and 19ifmmode^circelsetextdegreefi{} the best agreement between the experimental data and the theoretical simulations was achieved. The above results yield an O-O distance of 2.95 AA{} for the two nearest CO molecules, close to twice the van der Waals radius (ensuremath{sim}1.5 AA{}) for oxygen." @default.
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• W1972562181 date "1993-07-15" @default.
• W1972562181 modified "2023-09-27" @default.
• W1972562181 title "Structural determination of<i>p</i>2<i>mg</i>(2×1)CO/Ni(110) with the use of angle-resolved photoemission extended fine structure" @default.
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• W1972562181 doi "https://doi.org/10.1103/physrevb.48.1696" @default.
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