Abstract
Our first‐principles calculations reveal that a transverse electric field (F) can induce and modulate spontaneous magnetization in defect‐free first‐row d0 semiconductor (ZnO, GaN and InN) nanowires (NWs) and nanotubes (NTs). Under F, the band gap is reduced, and the mixing of the valence band edge (VBE) states is different from that of the conduction band edge (CBE) states due to the different delocalization tendencies of the bands. After the band gap is closed at a critical F value, separation of charges and localization of holes occur owing to the exotic electronic structure. Quantitative studies indicate that the presence of spontaneous magnetization is caused by localization of sufficient 2p holes around O/N at one side of the nanostructures, and the critical F value decreases as the diameter increases. Since it is easy to apply and unapply an external electric field in practice, our results provide a viable way for inducing and tuning magnetic properties of d0 semiconductor nanostructures.
Published Version
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