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Interplay between the ionic and electronic density profiles in liquid metal surfaces
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10.1063/1.2125728
/content/aip/journal/jcp/123/20/10.1063/1.2125728
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/20/10.1063/1.2125728

Figures

Image of FIG. 1.
FIG. 1.

Normalized ionic (thick line) and valence electronic (thin line) density profiles normal to the liquid-vapor interfaces. The Mg, Al, and Si data are shifted upwards by 0.3, 0.6, and 0.9 units. The insets highlight the region near the surface to enhance the valence electronic density oscillations.

Image of FIG. 2.
FIG. 2.

Wavelength of the oscillations in the density profiles as a function of the Wigner-Seitz radius and , the radius of a sphere which on average contains one electron.

Image of FIG. 3.
FIG. 3.

Valence electron-density profiles at the liquid-vapor interfaces. The continuous line is the self-consistent result, the dashed line represents the linear superposition of pseudoatomic densities, and the dotted line is the superposition of model densities without Friedel oscillations. The inset shows the projected pseudoatom electron densities (symbols) together with the fit to the model proposed in the text (lines).

Image of FIG. 4.
FIG. 4.

Normalized ion and valence electron densities of liquid Al obtained by the superposition of several model densities of different widths .

Image of FIG. 5.
FIG. 5.

Normalized ion profile and total (core valence) electron densities for the systems studied. The Mg, Al, and Si data are shifted upwards by 0.5, 1, and 1.5 units, respectively.

Tables

Generic image for table
Table I.

Thermodynamic states and simulation details.

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/content/aip/journal/jcp/123/20/10.1063/1.2125728
2005-11-28
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Interplay between the ionic and electronic density profiles in liquid metal surfaces
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/20/10.1063/1.2125728
10.1063/1.2125728
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