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First principles studies of a Xe atom adsorbed on Nb(110) surface

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 نشر من قبل Michael Shaughnessy
 تاريخ النشر 2012
  مجال البحث فيزياء
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We study adsorption sites of a single Xe adatom on Nb(110) surface using a density functional theory approach: The on-top site is the most favorable position for the adsorption. We compare the binding features of the present study to earlier studies of a Xe adatom on close-packed (111) surface of face-centered cubic metals. The different features are attributed through a microscopic picture to the less than half filled d-states in Nb.



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