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Recent experiments on the silicon terminated $3times 2$ SiC(100) surface indicated an unexpected metallic character upon hydrogen adsorption. This effect was attributed to the bonding of hydrogen to a row of Si atoms and to the stabilization of a neighboring dangling bond row. Here, on the basis of Density-Functional calculations, we show that multiple-layer adsorption of H at the reconstructed surface is compatible with a different geometry: besides saturating the topmost Si dangling bonds, H atoms are adsorbed at rather unusual sites, textit{i.e.} stable bridge positions above third-layer Si dimers. The results thus suggest an alternative interpretation for the electronic structure of the metallic surface
This paper has been withdrawn by the authors (see text).
One of the key challenges to realize controlled fusion energy is tritium self-sufficiency. The application of hydrogen permeation barrier (HPB) is considered to be necessary for tritium self-sufficiency. {alpha}-Al2O3 is currently a candidate materia
Being the simplest element with just one electron and proton the electronic structure of the Hydrogen atom is known exactly. However, this does not hold for the complex interplay between them in a solid and in particular not at high pressure that is
We present an accurate study of the static-nucleus electronic energy band gap of solid molecular hydrogen at high pressure. The excitonic and quasiparticle gaps of the $C2/c$, $Pc$, $Pbcn$, and $P6_3/m$ structures at pressures of 250, 300, and 350~GP
The evolution in the surface morphology of epitaxial graphene films and 6H-SiC(0001) substrates is studied by electron channeling contrast imaging. Whereas film thickness is determined by growth temperature only, increasing growth times at constant t