Abstract
We show by first-principles calculations that H-terminated armchair BC 2 N nanoribbons (a -BC2 NNRs) have exceptional electronic and magnetic properties. In particular, a -BC2 NNRs with the B and N atoms uncoordinated can be either p - or n -doped semiconductors, and the wide ones own spontaneous magnetization. It is shown that the magnetism is induced by the localization of acceptor or donor levels from unpaired B or N atoms, and the magnetic moment increases with further increasing ribbon width. The a -BC2 NNRs with B and N atoms coordinated have band gaps decreasing with increasing ribbon width.
| Original language | English |
|---|---|
| Article number | 133103 |
| Journal | Applied Physics Letters |
| Volume | 96 |
| Issue number | 13 |
| DOIs | |
| State | Published - 2010 |
| Externally published | Yes |
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