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Local modification of electronic structure of Si surfaces by forming molybdenum-encapsulating Si clusters
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View: Figures


Image of FIG. 1.
FIG. 1.

(Color) STM images of areas of Si surfaces (a) deposited with Mo atoms, (b) after subsequent exposure of and (c) , and (d) with annealing at after exposure following Mo deposition. The arrows show Mo atoms adsorbed at adatom site in (a) and Mo atoms reacted with in (b).

Image of FIG. 2.
FIG. 2.

(Color) (a) Converged ringlike and stable structures of clusters calculated using GAUSSIAN 03 B3PW91/LanL2DZ. The white balls represent Si atoms, and red ball is a Mo atom. Stable structure corresponds to ground state structure reported in Ref. 16 . is total energy difference between ringlike cluster and stable one. (b) Converged structure of free cluster as possible structure of adsorbed on surface. ring is assumed to bond covalently with three Si atoms located in the second layer of surface. Yellow balls represent H atoms added to terminate dangling bonds of Si atoms and mimic the situation on the Si surface, instead of exact calculation of surface structures.

Image of FIG. 3.
FIG. 3.

(Color) Normalized tunneling conductance spectra of (a) adatoms of surfaces, (b) adsorbed Mo atoms, and (c) clusters formed by the reaction of Mo atoms and molecules, and (d) clusters after annealing. Curves in (a), (b), (c), and (d) were obtained by averaging over curves for 40, 100, 26, and 14 sites, respectively. Horizontal short bars indicate original points for respective curves. Dashed line indicates position of adatom state at . Green and blue arrows indicate peak positions at , , and on curve in (b), and one at and on curve in (c). The measured curve was fitted to an exponential function, and the differential conductance was normalized by the fitted function to obtain the curve.

Image of FIG. 4.
FIG. 4.

(Color) Mo XPS spectra taken at room temperature for Mo atoms deposited on (a) surface, (b) clusters, and (c) after subsequent annealing.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Local modification of electronic structure of Si (111)-7×7 surfaces by forming molybdenum-encapsulating Si clusters