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Coexistence of Co doping and strain on arsenene and antimonene: tunable magnetism and half-metallic behavior

机译：亚苯烯和锑烯的CO掺杂和菌株共存：可调谐磁性和半金属行为

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摘要

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 mu(B). 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：有效调节的二维（2D）系统的磁性是磁性纳米结构的量子信息设备的应用是至关重要的。在这项工作中，通过采用密度泛函理论计算，我们发现合作掺杂和应变的共存能有效地控制arsenene和antimonene结构的自旋态。非应变共掺杂arsenene（arsenene-Co）和共掺杂antimonene（antimonene-Co）的结构是非磁性的，而应变下，这两种情况下的磁矩被突然增加至约2微米（B）。磁性的出现可以通过由应变减少Co和其相邻的原子之间的相互作用的，被反射，这导致共3d态的自旋分裂。更重要的是，我们发现，磁性的过渡伴随arsenene和antimonene的电子性质的修改，使得在应变下，两种结构都可以表现出一种新颖的半金属行为。这些结果通过施加共同掺杂和应变为arsenene-和antimonene为基础的电子设备的发展的有效途径。

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  • 来源
    《RSC Advances》 |2018年第3期|共8页
  • 作者

    Zhou Yungang; Cheng Geng; Li Jing;

  • 作者单位

    Univ Elect Sci &

    Technol China Sch Phys Elect Chengdu 610054 Sichuan Peoples R China;

    Univ Elect Sci &

    Technol China Sch Phys Elect Chengdu 610054 Sichuan Peoples R China;

    Univ Elect Sci &

    Technol China Sch Phys Elect Chengdu 610054 Sichuan Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
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