1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Ab initio atomistic thermodynamics calculations of the initial deposition of epitaxial MgO film on GaAs(001)-β2(2 × 4)
Rent:
Rent this article for
USD
10.1063/1.4789952
/content/aip/journal/jap/113/5/10.1063/1.4789952
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/5/10.1063/1.4789952

Figures

Image of FIG. 1.
FIG. 1.

In-plane and cross-sectional views of the GaAs(001)-β2(2 × 4) surface (a). Initial configuration of the surface with ten different sites for magnesium and oxygen adsorption (b).

Image of FIG. 2.
FIG. 2.

Atomic configurations of the relaxed structure and charge density difference profiles for oxygen adsorption on GaAs(001)-β2(2 × 4).

Image of FIG. 3.
FIG. 3.

Atomic configurations of the relaxed structure and charge density difference profiles for magnesium adsorption on GaAs(001)-β2(2 × 4).

Image of FIG. 4.
FIG. 4.

Partial charge of atom adsorption of oxygen at site D (a) and magnesium at site H (b) on GaAs(001)-β2(2 × 4).

Image of FIG. 5.
FIG. 5.

Gibbs free energy as a function of ΔμO for ΔμMg  = −0.5 eV.

Image of FIG. 6.
FIG. 6.

Phase diagram of Mg-GaAs(001)-β2(2 × 4) under an O gas environment.

Tables

Generic image for table
Table I.

Adsorption energy and partial charge for magnesium and oxygen on a GaAs(001)-β2(2 × 4) surface with respect to atomic Mg and O.

Loading

Article metrics loading...

/content/aip/journal/jap/113/5/10.1063/1.4789952
2013-02-01
2014-04-19
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ab initio atomistic thermodynamics calculations of the initial deposition of epitaxial MgO film on GaAs(001)-β2(2 × 4)
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/5/10.1063/1.4789952
10.1063/1.4789952
SEARCH_EXPAND_ITEM