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O-vacancy-mediated spin-spin interaction in Co-doped ZnO: First-principles total-energy calculations
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10.1063/1.3284075
/content/aip/journal/jap/107/2/10.1063/1.3284075
http://aip.metastore.ingenta.com/content/aip/journal/jap/107/2/10.1063/1.3284075

Figures

Image of FIG. 1.
FIG. 1.

(a) The positions of in Co-doped ZnO, where green (grey), light yellow (white), and red (black) spheres designate Zn, O, and Co atoms, respectively. (b) and (c) are the relative energies of the configurations with neutral and -charged at different sites and with the two Co ions AFM and FM ordering, respectively.

Image of FIG. 2.
FIG. 2.

(a) The relaxed atomic structure when a -charged is at the site 2 in Fig. 1(a); (b) the isosurface of the spin density distribution of the configuration (a). Green (grey), light yellow (white), and red (black) spheres represent Zn, O, and Co atoms, respectively. “V” indicates the position of .

Image of FIG. 3.
FIG. 3.

(a) TDOS and (b) PDOS of the system shown in Fig. 2(a). (c) corresponds to (b) for Co-doped ZnO without . The Fermi level is shown as dashed line.

Image of FIG. 4.
FIG. 4.

The atomic configuration which contains two pairs of Co ions with the interpair distance along axis.

Tables

Generic image for table
Table I.

The distances between the two Co ions in ZnO when neutral and -Charged are at different positions.

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/content/aip/journal/jap/107/2/10.1063/1.3284075
2010-01-27
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: O-vacancy-mediated spin-spin interaction in Co-doped ZnO: First-principles total-energy calculations
http://aip.metastore.ingenta.com/content/aip/journal/jap/107/2/10.1063/1.3284075
10.1063/1.3284075
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