reconstruction of the Co–Si(111) surface investigated by high-resolution STM and DFT calculations

Chaput, Laurent; Dulot, Frédéric; Hanf, Marie-Christine; Wetzel, P.

doi:10.1016/j.susc.2009.12.013

Cited by 9 publications

(4 citation statements)

References 12 publications

(19 reference statements)

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“…Figures a and b present STM images of a portion of a

\sqrt{13} \times \sqrt{13} - R 13.9 °

(hereafter referred to as

\sqrt{13}

) reconstructed domain, obtained after evaporation of 0.2 ML of Co on Si(111)–(7 × 7) at room temperature, and annealing of the sample at 800 K for 30 min. A description of the experimental equipment is given elsewhere . In the filled‐state image (Fig.…”

Section: Resultsmentioning

confidence: 99%

“…Because of the resemblance of the six protrusions clusters for both systems, Mocking et al . proposed a model for the Co–Ge cluster that corresponds to the atomic structure of a Co–Si dark cluster: six Ge atoms forming a triangle are located above three Co atoms replacing three Ge atoms within the Ge(111) surface . This structural model constitutes the starting point of our calculations.…”

Section: Resultsmentioning

confidence: 99%

“…When the Hellmann–Feynman forces are smaller than 0.01 eV/Å, the atomic structure is considered to be in equilibrium. This unit cell has been successfully used to depict the Co–Si(111) surface …”

Section: Calculation Detailsmentioning

confidence: 99%

“…In particular, a

\sqrt{13} \times \sqrt{13} - R 13.9 °

ordering has been observed by depositing and postannealing sub‐monolayer amounts of Co on a Si(111)–(7 × 7) surface but also on a

\sqrt{3} \times \sqrt{3}

Ag/Ge(111) substrate,, or on Ge(111)– c (2 × 8) . In a previous work, we have resolved the atomic structure of the

\sqrt{13} \times \sqrt{13} - R 13.9 °

Co–Si(111) surface by means of scanning tunnelling microscopy (STM) measurements and density functional theory (DFT) calculations . The reconstruction consists of two kinds of clusters, which are either darker or brighter in the STM images.…”

Section: Introductionmentioning

confidence: 99%

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DFT characterization of nanostructured germanium surfaces induced by cobalt atoms

Stephan

Hanf

Wetzel

et al. 2013

Surf. Interface Anal.

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By deposition in ultra‐high vacuum of cobalt on a Ge(111)–c(2 × 8) surface, Mocking et al. obtained a bold13×bold13−R13.9° surface reconstruction. In the present paper, we analyse the related atomic structure, proposed by these authors, by means of density functional theory calculations. The surface presents ordered clusters that consist of six Ge atoms arranged in a triangle, lying above three Co atoms. The latter are located at substitutional positions within the top plane of the Ge(111) first bilayer. These clusters are similar to what is obtained on part of the Co‐induced Si(111) bold13×bold13−R13.9° surface. For this surface, the clusters are terminated either by six Si atoms or by one, two or three adatoms above the six Si atoms. As the Co–Ge clusters systematically display six protrusions in the scanning tunnelling microscopy measurements by Mocking et al., we investigated why Ge adatoms are not present. Comparison of the Gibbs energy, interatomic distances, as well as charge density indicates that Ge adatoms on top of Co‐Ge clusters are less stable than Si adatoms in the Co‐Si system. Copyright © 2013 John Wiley & Sons, Ltd.

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“…Figures a and b present STM images of a portion of a