Theoretical And Experimental DAPS Study Of Clean, Oxygen, And Hydrogen Covered Pt(100) Single Crystal Surface

Author(s): A.R.Cholach, V.M.Tapilin

Local density of states and atomic locations are calculated for the threelayer Pt(100) slab covered separately with H and O atoms. Oxygen atoms reveal a stronger influence on LDOS of clean surface and induce larger Pt atoms displacement in comparison with hydrogen atoms. At 1 ML coverage O atom is localized by 1.1218Å below the top Pt layer. Calculated, and experimental disappearance potential spectra related to various H and O coverage of the Pt(100)-(1x1) single crystal surface are in a perfect agreement in spite of pronounced complexity of spectral structures.

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