Abstract
By using multiple scattering calculations, we have found RHEED conditions sensitive to hydrogen position on Pd(100) surface. For determination of a hydrogen position, it is essential to have distinct changes caused by the scattering from the hydrogen in the diffraction intensities. As the scattering amplitude of hydrogen is only 7% of palladium at the maximum, such intensity changes are expected only when the contribution of hydrogen scattering to the intensities is maximized. The conditions for 10 keV electron beam are found when the glancing angle is smaller than 4∘ and the azimuth angle is between 1∘ and 3∘ from the [011] axis. Distinct intensity changes are obtained when hydrogen position is changed both in the normal and parallel directions to the surface. By analyzing RHEED wave functions, it is revealed that low order diffracted beams are dominant and RHEED electrons are localized near the surface under the conditions related to a new type of resonance. By using rocking curves showing distinct changes under the conditions in turn, the height of hydrogen can be determined with the accuracy better than 0.2Å. This indicates that RHEED is a quite promising tool for determination of hydrogen position on the Pd surface.
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