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Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO
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10.1063/1.3491416
/content/aip/journal/apl/97/12/10.1063/1.3491416
http://aip.metastore.ingenta.com/content/aip/journal/apl/97/12/10.1063/1.3491416
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Five possible adsorption structures considered for the fluorinated single layers . The dashed lines present the supercell employed for our calculations.

Image of FIG. 2.
FIG. 2.

(a) Formation energies calculated for the fluorination of the BN and ZnO single layers. The data points for the and states are not shown, because they are not stable. (b) Relaxed ground-state structures of the fluorinated (b) BN and (c) ZnO single layers, where the grey, dark, and small white balls refer to the B (Zn), N (O), and F atoms, respectively. (c) Relaxed ground-state structure of the fluorinated ZnO single layer, where the pink, blue, and sapphire balls refer to the Zn, O, and F atoms, respectively.

Image of FIG. 3.
FIG. 3.

Spin density maps calculated for the fluorinated single layers of (a) BN and (b) ZnO.

Image of FIG. 4.
FIG. 4.

Plots of the band dispersion and the projected density of states calculated for the fluorinated BN single layer in (a) and (b), and the fluorinated ZnO single layer in (c) and (d).

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/content/aip/journal/apl/97/12/10.1063/1.3491416
2010-09-21
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO
http://aip.metastore.ingenta.com/content/aip/journal/apl/97/12/10.1063/1.3491416
10.1063/1.3491416
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