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Atomic structure of the Te/Si(100)-(2x1) surface

Onglets principaux

Wiame, F. Dumont, J. Sporken, Robert [FUNDP] Verstraete, Matthieu J. [UCL] Gonze, Xavier [UCL]

We investigated the atomic structure of the Te/Si(100)-(2x1) surface using the density functional theory. A new model of reconstruction for this surface, based on a two-layers scheme, is proposed. In this model, Te atoms are situated in twofold bridge sites in the first two layers. Small shifts of Te atoms, with respect to the perfect bridge positions, are noticed in one of the two layers and probably give rise to a slightly disordered surface. This model is in agreement with all the experimental data available and in particular with the experimentally observed Te coverage of one monolayer. Comparison between total energies obtained for this surface and the Te/Si(100)-(1x1) surface shows a better stability for the (2x1) in agreement with what has been reported in the literature.

Type de document Article de périodique (Journal article) – Article de recherche
Type d'accès Accès restreint
Année de publication 2005
Langue Anglais
Information sur le périodique "Physical review. B, Condensed matter and materials physics" - Vol. 72, no. 3 (2005)
Peer reviewed oui
Editeur American Physical Soc (College Pk)
issn 1098-0121
e-issn 1550-235X
Statut de la publication Publié
Affiliations UCL - FSA/MAPR - Département des sciences des matériaux et des procédés
Liens
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Référence bibliographique Wiame, F. ; Dumont, J. ; Sporken, Robert ; Verstraete, Matthieu J. ; Gonze, Xavier. Atomic structure of the Te/Si(100)-(2x1) surface. In: Physical review. B, Condensed matter and materials physics, Vol. 72, no. 3 (2005)
Permalien http://hdl.handle.net/2078.1/39801