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Structural, electronic, and magnetic properties of C-doped GaN nanoribbon
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10.1063/1.3587161
/content/aip/journal/jap/109/10/10.1063/1.3587161
http://aip.metastore.ingenta.com/content/aip/journal/jap/109/10/10.1063/1.3587161

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Geometry structures for (a) 6-ZGaNNR and (b) 6-AGaNNR with hydrogen terminations. The black, white and smaller white balls represent N, Ga, and H atoms, respectively.

Image of FIG. 2.
FIG. 2.

(Color online) The band structures for (a) 6-ZGaNNR and (b) 6-AGaNNR. The solid and dashed lines represent the majority and minority spin bands, respectively. The Fermi level EF is set to zero and indicated by the horizontal dashed lines.

Image of FIG. 3.
FIG. 3.

(Color online) Variation of energy bandgap as a function of the width for ZGaNNRs (squares) and AGaNNRs (circles).

Image of FIG. 4.
FIG. 4.

(Color online) Different substitutional sites for a single C atom to substitute edge N1 (Ga1) or non-edge N2 (Ga2) in (a) 6-ZGaNNR (b) 6-AGaNNR.

Image of FIG. 5.
FIG. 5.

(Color online) The band structures of (a) pure 6-ZGaNNR, (b) C substituting N1, (c) C substituting N2, (d) C substituting Ga1 and (e) C substituting Ga2 sites for 6-ZGaNNR; (f) pure 6-AGaNNR, (g) C substituting N1, (h) C substituting N2, (i) C substituting Ga1 and (j) C substituting Ga2 sites for 6-AGaNNR. The horizontal dashed lines are the Fermi level.

Image of FIG. 6.
FIG. 6.

(Color online) The DOS for: (a) pure 6-ZGaNNR, (b) C substituting N1, (c) C substituting N2, (d) C substituting Ga1 and (e) C substituting Ga2 for 6-ZGaNNR (left panels); (f) pure 6-AGaNNR, (g) C substituting N1, (h) C substituting N2, (i) C substituting Ga1 and (j) C substituting Ga2 sites for 6-AGaNNR (right panels). The Fermi level is set to zero energy and indicated by the vertical dashed lines.

Tables

Generic image for table
Table I.

The bond lengths of C-Ga and C-N along the dimer lines (A) and zigzag chains (Z), , , , and ; the formation energies ; and the magnetic moments µ for C atom doped at four different sites in 6-ZGaNNR and 6-AGaNNR.

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/content/aip/journal/jap/109/10/10.1063/1.3587161
2011-05-20
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structural, electronic, and magnetic properties of C-doped GaN nanoribbon
http://aip.metastore.ingenta.com/content/aip/journal/jap/109/10/10.1063/1.3587161
10.1063/1.3587161
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