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Magnetic properties of the semifluorinated and semihydrogenated 2D sheets of group-Ⅳ and Ⅲ-Ⅴ binary compounds

机译：Ⅳ和Ⅲ-Ⅴ族二元化合物的半氟化和半氢化二维薄片的磁性

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摘要

By performing first-principles calculations, the intriguing electronic and magnetic properties of the semidecorated sheets of group-IV and III-V binary compounds are investigated. Our results indicate that the semifluorinated and semihydrogenated ab(ab = SiC, GeC, SnC, BN, A1N, and GaN) sheets exhibit diverse electronic and magnetic properties. Accordingly, the electronic and magnetic properties of the semidecorated sheets can be precisely modulated by controlling the adsorbed atoms on the a sites. Further, the preference of ferromagnetic or antiferromagnetic coupling can be attributed to the combined effects of both through-bond spin polarization and p-p direct interaction for the semidecorated ab sheets.
机译：通过进行第一性原理计算，研究了IV和III-V族二元化合物的半装饰片材的有趣的电子和磁性。我们的结果表明，半氟化和半氢化ab（ab = SiC，GeC，SnC，BN，AlN和GaN）薄片表现出各种电子和磁性。因此，可以通过控制α位上的吸附原子来精确地调节半装饰片的电子和磁性。此外，铁磁耦合或反铁磁耦合的偏好可以归因于半装饰ab片材的键合自旋极化和p-p直接相互作用的组合效应。

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  • 来源
    《Applied Surface Science》 |2011年第17期|p.7845-7850|共6页
  • 作者

    Yandong Ma; Ying Dai; Meng Guo; Chengwang Niu; Lin Yu; Baibiao Huang;

  • 作者单位

    School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

    School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

    School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

    School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

    School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

    School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

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  • 正文语种 eng
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  • 关键词

    graphene-like; magnetic; density functional theory; nanoelectronics; semidecoration;

    机译：石墨烯状磁性;密度泛函理论;纳米电子学半装修;

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