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Tuning the work function of ultrathin oxide films on metals by adsorption of alkali atoms
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10.1063/1.2905218
/content/aip/journal/jcp/128/16/10.1063/1.2905218
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/16/10.1063/1.2905218

Figures

Image of FIG. 1.
FIG. 1.

Top view of Li, Na, and K atoms adsorbed on films. (Selected distances) Li; , , , and ; Na; , , , and ; and K; , , , and . (Black spheres) O atoms, (small gray spheres) Si atoms, (large gray sphere) alkali atom, and (large white spheres) Mo atoms.

Image of FIG. 2.
FIG. 2.

Projected density of states: (a) and (b) (O top adsorption) . The zero of energy corresponds to the position of the Fermi level .

Image of FIG. 3.
FIG. 3.

Energy profile for a K atom adsorbed above the surface (left) and at the interface (right) of a film. In the subsurface mimimum, K is above the Mo surface. Na and Li bind in similar positions, with distances from the Mo surface of 2.05 and , respectively.

Image of FIG. 4.
FIG. 4.

Work function change in and (K above the surface and at the interface) as a function of the K coverage.

Image of FIG. 5.
FIG. 5.

PDOS of . (Inset) A side view of K and Ag adatoms coadsorbed on films. The zero of energy corresponds to the position of the Fermi level .

Image of FIG. 6.
FIG. 6.

Projected density of states: (a) and (b) (O top adsorption). (Inset) spin density plot for , lateral view. The zero of energy corresponds to the position of the vacuum level.

Tables

Generic image for table
Table I.

Adsorption energy , shortest M–O distance , work function , and work function change for Li, Na, and K atoms adsorbed on and for K adsorbed on MgO(2L)/Ag(100) and .

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/content/aip/journal/jcp/128/16/10.1063/1.2905218
2008-04-22
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Tuning the work function of ultrathin oxide films on metals by adsorption of alkali atoms
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/16/10.1063/1.2905218
10.1063/1.2905218
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