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首页> 外文期刊>Japanese journal of applied physics >Edge States of Bi Nanoribbons on Bi Substrates: First-Principles Density Functional Study
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Edge States of Bi Nanoribbons on Bi Substrates: First-Principles Density Functional Study

机译：Bi基板上Bi纳米带的边缘状态：第一性原理密度泛函研究

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摘要

By using fully relativistic first-principles calculations, we study edge states of the Bi(001) nanoribbons. We find that freestanding zigzag bismuth nanoribbons (ZBIMRs) have two spin degenerate bands around the Fermi energy, whose wave functions are localized at the edges. The wave functions are sharply localized at the edges at the zone boundary and become delocalized as the wave number decreases. In the case of the ZBNR on Bi substrates, the inversion symmetry is broken. As a result, the spin degenerate bands split and thus the density of states near the Fermi level has broad distributions; therefore, the electronic structures are expected to be stabilized. Because of the edge state near the Fermi energy, conduction along the edge lines is expected. However, the topological insulator predicted in the case of the freestanding ZBNR is not achieved in the case of the ZBNR on Bi substrates.
机译：通过使用完全相对论的第一性原理计算，我们研究了Bi（001）纳米带的边缘状态。我们发现，独立的之字形铋纳米带（ZBIMRs）在费米能量附近具有两个自旋简并带，其波函数位于边缘。波函数在区域边界的边缘处急剧地局部化，并且随着波数的减少而变得局部化。在Bi衬底上的ZBNR的情况下，反转对称性被破坏。结果，自旋简并能带分裂，因此费米能级附近的态密度具有较宽的分布。因此，期望电子结构稳定。由于费米能量附近的边缘状态，沿边缘线的传导是可预期的。但是，在Bi衬底上使用ZBNR时，无法实现在独立ZBNR情况下预测的拓扑绝缘体。

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  • 来源
    《Japanese journal of applied physics》 |2012年第2issue1期|p.025201.1-025201.4|共4页
  • 作者

    Hiroki Kotaka; Fumiyuki Ishii; Mineo Saito; Tadaaki Nagao; Shin Yaginuma;

  • 作者单位

    Graduate School of Natural Science and Technology, Kanazawa University, Kanazawa 920-1192, Japan;

    Faculty of Mathematics and Physics, Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192, Japan;

    Faculty of Mathematics and Physics, Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192, Japan,Collaborative Research Center for Frontier Simulation Software for Industrial Science, Institute of Industrial Science, University of Tokyo,Meguro, Tokyo 153-8505, Japan;

    International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044, Japan;

    International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044, Japan;

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