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首页> 外文期刊>Journal of Applied Physics >Magnetic and electronic properties of Fe_3O_4/graphene heterostructures: First principles perspective
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Magnetic and electronic properties of Fe_3O_4/graphene heterostructures: First principles perspective

机译：Fe_3O_4 /石墨烯异质结构的磁性和电子性质：第一性原理

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摘要

Magnetic and electronic properties of Fe_3O_4(111)/graphene heterostructures are investigated by first principles calculations. Different structural models have been considered, which differ in the interface termination of Fe_3O_4(111) surface with respect to the same monolayer graphene. In three models, the magnetic moment of Fe(A) has a major change due to less O atoms surrounding Fe(A) atoms than Fe(B). Magnetic moment is enhanced by 8.5%, 18.5%, and 8.7% for models (a), (b), and (c), respectively. Furthermore, the spin polarization of models (a) and (c) is lowered due to the simultaneous occurrence of density of states of spin-up Fe(A) and spin-down Fe(B) at Fermi lever. The spin polarization of model (b) remains the same as that of bulk Fe_3O_4. Our results suggest that different interface terminations and Fe(A) play an important role in determining the magnetism strength and spin polarization.
机译：通过第一性原理计算研究了Fe_3O_4（111）/石墨烯异质结构的磁性和电子性质。已经考虑了不同的结构模型，相对于相同的单层石墨烯，Fe_3O_4（111）表面的界面终止不同。在三个模型中，由于围绕Fe（A）原子的O原子少于Fe（B），Fe（A）的磁矩发生了重大变化。模型（a），（b）和（c）的磁矩分别提高了8.5％，18.5％和8.7％。此外，由于在费米杠杆处同时出现了自旋上升的Fe（A）和自旋下降的Fe（B）的状态密度，模型（a）和（c）的自旋极化度降低了。模型（b）的自旋极化与本体Fe_3O_4的相同。我们的结果表明，不同的界面终端和Fe（A）在确定磁强度和自旋极化方面起着重要作用。

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  • 来源
    《Journal of Applied Physics》 |2013年第8期|083711.1-083711.7|共7页
  • 作者

    Wenbo Mi; Hua Yang; Yingchun Cheng; Guifeng Chen; Haili Bai;

  • 作者单位

    Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology,Institute of Advanced Materials Physics, Faculty of Science, Tianjin University, Tianjin 300072, China;

    Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology,Institute of Advanced Materials Physics, Faculty of Science, Tianjin University, Tianjin 300072, China;

    PSE Division, KAUST, Thuwal 23955-6900, Kingdom of Saudi Arabia;

    School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130,People's Republic of China;

    Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology,Institute of Advanced Materials Physics, Faculty of Science, Tianjin University, Tianjin 300072, China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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