Electric‐field‐induced magnetism of first‐row d0 semiconductor nanowires and nanotubes
Electric‐field‐induced magnetism of first‐row d0 semiconductor nanowires and nanotubes
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DOI：
10.1002/pssb.201451519
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发表时间：
2015-03
期刊：
影响因子：
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通讯作者：
Gangxu Gu;G. Xiang;Mu Lan;Xi Zhang
中科院分区：
文献类型：
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作者：
Gangxu Gu;G. Xiang;Mu Lan;Xi Zhang
我们的第一性原理计算表明，横向电场 (F) 可以感应和调制无缺陷第一行 d0 半导体（ZnO、GaN 和 InN）纳米线 (NW) 和纳米管 (NT) 中的自发磁化。在F下，带隙减小，由于能带的离域倾向不同，价带边缘（VBE）态的混合与导带边缘（CBE）态的混合不同。带隙关闭到临界 F 值后，由于奇异的电子结构，会发生电荷分离和空穴局域化。定量研究表明，自发磁化的存在是由纳米结构一侧的O/N周围存在足够的2p空穴引起的，并且临界F值随着直径的增加而减小。由于在实践中很容易施加和取消施加外部电场，因此我们的结果为诱导和调节 d0 半导体纳米结构的磁性能提供了一种可行的方法。
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.