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首页> 外文期刊>RSC Advances >Coexistence of Co doping and strain on arsenene and antimonene: tunable magnetism and half-metallic behavior
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Coexistence of Co doping and strain on arsenene and antimonene: tunable magnetism and half-metallic behavior

机译：砷和锑对钴掺杂和应变的共存：可调谐的磁性和半金属行为

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Effectively modulating the magnetism of two-dimensional (2D) systems is critical for the application of magnetic nanostructures in quantum information devices. In this work, by employing density functional theory calculations, we found the coexistence of Co doping and strain can effectively control the spin states of arsenene and antimonene structures. Unstrained Co-doped arsenene (arsenene–Co) and Co-doped antimonene (antimonene–Co) structures are nonmagnetic while under a strain, the magnetic moments of both cases were abruptly increased to about 2 μB. The emergence of magnetism can be reflected by the reduction of the interactions between Co and its neighboring atoms by the strain, which leads to the spin-splitting of Co-3d states. More importantly, we found that the transition of magnetism accompanies the modifications of the electronic properties of arsenene and antimonene so that under strain both structures can exhibit a novel half-metallic behavior. These results provide an effective pathway for the development of arsenene- and antimonene-based electronic devices by applying Co doping and strain.
机译：有效地调制二维（2D）系统的磁性对于将磁性纳米结构应用于量子信息设备至关重要。在这项工作中，通过使用密度泛函理论计算，我们发现Co掺杂和应变的共存可以有效地控制砷和锑结构的自旋态。未应变的共掺杂砷（Arsenene–Co）和共掺杂锑（antimonene–Co）结构是非磁性的，而在应变作用下，两种情况的磁矩突然增加到大约2 μ B 。磁力的出现可以通过应变降低Co与相邻原子之间的相互作用来反映，这导致Co-3d态自旋分裂。更重要的是，我们发现磁性的转变伴随着砷和锑的电子性质的改变，因此在应变作用下，两种结构都可以表现出新颖的半金属行为。这些结果通过施加Co掺杂和应变，为开发基于砷和锑的电子设备提供了一条有效途径。

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