DFT study of Rb/Si(100)-2x1 System

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dc.creatorMete, E.
dc.creatorShaltaf, R.
dc.creatorEllialtıoğlu, Ş.
dc.date2005-01-14
dc.date.accessioned2026-07-07T03:03:16Z
dc.date.available2026-07-07T03:03:16Z
dc.descriptionWe have investigated Rb adsorption on the Si(100) surface for 0.5 and 1 monolayer coverages using the total energy method with norm-conserving pseudopotentials. For 2$\times$1 reconstruction at 1 ML coverage symmetrized dimers are found to be energetically more favorable. On the other hand, half a ML coverage is found to have symmetrical dimers only for the most stable adsorption model. All possible surface-adatom configurations have been considered in the calculations to find which adsorption sites are energetically favored. In addition to the structural properties, the interface is investigated electronically for the work function and surface states. The results are discussed and compared with the existing experimental findings.
dc.description10 pages, 4 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0501349
dc.identifierhttp://arxiv.org/abs/cond-mat/0501349
dc.identifierSurf. Sci. 583 (2005) 119
dc.identifierdoi:10.1016/j.susc.2005.03.030
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/25686
dc.subjectStrongly Correlated Electrons
dc.titleDFT study of Rb/Si(100)-2x1 System
dc.typetext

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