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Chern insulators without band inversion in MoS_2 monolayers with 3d adatoms

机译:具有3d原子的MoS_2单层中无带反转的Chern绝缘子

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摘要

Electronic and topological properties of M0S2 monolayers endowed with 3d transition metal (TM) adatoms (V-Fe) are explored by using ab initio methods and k · p models. Without the consideration of the Hubbard U interaction, the V, Cr, and Fe adatoms tend to locate on the top of the Mo atoms, while the most stable site for the Mn atom is at the hollow position of the Mo-S hexagon. After the Hubbard U is applied, the most stable sites of all the systems become the top of the Mo atoms. Chern insulators without band inversion are achieved in these systems. The V and Fe adsorption systems are the best candidates to produce the topological states. The k · p model calculations indicate that these topological states are determined by the TM magnetism, the C_(3v) crystal field from the MoS_2 substrate, and the TM atomic spin-orbit coupling (SOC). The special two-meron pseudospin texture is found to contribute to the topology. The apparent difference between the Berry curvatures for the V and Fe adsorption systems is also explored. Our results widen the understanding of the Chern insulators and are helpful for the applications of the M0S2 monolayers in the future electronics and spintronics.
机译:通过使用从头算方法和k·p模型探索了具有3d过渡金属(TM)原子(V-Fe)的M0S2单层的电子和拓扑性质。如果不考虑Hubbard U的相互作用,则V,Cr和Fe原子往往位于Mo原子的顶部,而Mn原子最稳定的位置位于Mo-S六角形的空心位置。应用Hubbard U后,所有系统中最稳定的位点成为Mo原子的顶部。在这些系统中实现了无带反转的陈恩式绝缘子。 V和Fe吸附系统是产生拓扑状态的最佳选择。 k·p模型计算表明,这些拓扑状态由TM磁性,MoS_2衬底的C_(3v)晶体场和TM原子自旋轨道耦合(SOC)确定。发现特殊的两色龙伪自旋纹理有助于拓扑结构。还探讨了V和Fe吸附系统的Berry曲率之间的表观差异。我们的结果拓宽了对Chern绝缘子的理解,并有助于M0S2单层在未来的电子和自旋电子学中的应用。

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  • 来源
    《Physical review》 |2017年第7期|075419.1-075419.9|共9页
  • 作者单位

    State Key Laboratory of Surface Physics and Key Laboratory for Computational Physical Sciences (MOE) & Department of Physics, Fudan University, Shanghai 200433, China;

    State Key Laboratory of Surface Physics and Key Laboratory for Computational Physical Sciences (MOE) & Department of Physics, Fudan University, Shanghai 200433, China,College of Physical Science and Information Technology, Liaocheng University, Liaocheng 252000, China;

    State Key Laboratory of Surface Physics and Key Laboratory for Computational Physical Sciences (MOE) & Department of Physics, Fudan University, Shanghai 200433, China;

    State Key Laboratory of Surface Physics and Key Laboratory for Computational Physical Sciences (MOE) & Department of Physics, Fudan University, Shanghai 200433, China;

    Department of Physics and Electronic Engineering, Hanshan Normal University, Chaozhou 521041, China;

    State Key Laboratory of Surface Physics and Key Laboratory for Computational Physical Sciences (MOE) & Department of Physics, Fudan University, Shanghai 200433, China,Collaborative Innovation Center of Advanced Microstructures, Fudan University, Shanghai 200433, China;

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