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Novel half-metal and spin gapless semiconductor properties in N-doped silicene nanoribbons
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10.1063/1.4801882
/content/aip/journal/jap/113/15/10.1063/1.4801882
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/15/10.1063/1.4801882
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The optimized geometric structure of silicene from the top view (a) and the side view (b), respectively. Also, the corresponding band structure is present in (c).

Image of FIG. 2.
FIG. 2.

(a) The optimized crystal structure of the pristine 8-ZSiNR, (b) the band structure for AFM states, and (c) the spin density distributions of AFM state. In (a), Si and H atoms are denoted as blue and purple balls, respectively, and the red rectangular denotes the unit cell of pristine 8-ZSiNR.

Image of FIG. 3.
FIG. 3.

(a) The different N doping positions in 8-ZSiNR, (c) the spin density distribution of N/S0. (b) and (d) are the corresponding band structures of N/S0. The black and green lines denote spin-up and spin-down channels, respectively.

Image of FIG. 4.
FIG. 4.

The structure and spin density distribution for ZSiNR(8, 4) containing 3NV (a), 4ND (b), pyridine-like N-V Si complex (c), and (d) pyrrole-like N-V Si complex, while (e), (f), (g), and (h) are the corresponding band structures for configurations (a)–(d), respectively.

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/content/aip/journal/jap/113/15/10.1063/1.4801882
2013-04-15
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Novel half-metal and spin gapless semiconductor properties in N-doped silicene nanoribbons
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/15/10.1063/1.4801882
10.1063/1.4801882
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