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Surface half-metallicity of zinc-blende calcium monocarbide
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10.1063/1.3211863
/content/aip/journal/jap/106/5/10.1063/1.3211863
http://aip.metastore.ingenta.com/content/aip/journal/jap/106/5/10.1063/1.3211863

Figures

Image of FIG. 1.
FIG. 1.

Surface energies of the (110) surface and the Ca- and C-terminated (001) surfaces of ZB CaC vs . The CaC(001)-Ca and CaC(001)-C represent the Ca- and C-terminated (001) surfaces, respectively.

Image of FIG. 2.
FIG. 2.

Surface atomic DOS of ZB CaC at the equilibrium lattice constant. Ca@(001) and C@(001) represent the surface atomic DOS of the Ca- and C-terminated (001) surfaces, respectively. The Ca@(110) and C@(110) are the atomic DOS of the (110) surface.

Image of FIG. 3.
FIG. 3.

Atom-resolved DOS of ZB CaC at the equilibrium lattice constant.

Image of FIG. 4.
FIG. 4.

Surface atomic DOS of the (110) surface of ZB CaC at the equilibrium (red line) and GaAs (black line) lattice constants.

Tables

Generic image for table
Table I.

The atomic magnetic moments (in ) at the (001) and (110) surfaces and in the bulk CaC with ZB structure. The (001)-Ca and (001)-C represent the Ca- and C-terminated (001) surfaces, respectively.

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/content/aip/journal/jap/106/5/10.1063/1.3211863
2009-09-03
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Surface sp half-metallicity of zinc-blende calcium monocarbide
http://aip.metastore.ingenta.com/content/aip/journal/jap/106/5/10.1063/1.3211863
10.1063/1.3211863
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