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Phononic Weyl points and one-way topologically protected nontrivial phononic surface arc states in noncentrosymmetric WC-type materials

机译:封位拓扑点和单向拓扑保护的非竞争声子表面弧状态在非致白的WC型材料中

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摘要

By means of first-principles calculations, we have predicted the existence of phononic Weyl points (WPs) along the high-symmetric K(1/3, 1/3, 0)-H(1/3, 1/3, 1/2) line in the Brillouin zone for a series of noncentrosymmetric 3 1 , 2 hexagonal WC-type materials (HfS, HfSe, IrB, MoC, MoN, MoP, NbN, NbS, TaN, TaS, TiO, TiS, WN, ZrS, ZrSe, and ZrTe) and these WPs carry nonzero topological charges. In terms of symmetry analysis, we have further derived two-band k . p models to describe these WPs. For most WPs a first-order theory is sufficient to reproduce well the phonon spectra around these WPs. However, for some WPs a second-order theory has to be required. Particularly, when the second-order term plays a leading role, a topological charge +/- 1 WP on the K-H line is accompanied by three nearby WPs with the opposite charges (-/+ 1) off the K-H line. These four spatially close (in the reciprocal space) WPs have a total topological charge of -/+ 2. On the crystal (10 (1) over bar0) and (01 (1) over bar0) surfaces, we have observed clear one-way topologically protected nontrivial phononic surface arc states connecting two WPs with opposite chirality. Our results pave the way for future experimental studies of the topological phonons for those WC-type materials.
机译:通过第一原理计算,我们预测了沿着高对称k(1/3,1 / 3,0)-h(1/3,1 / 3,1 /)的错位Weyl点(WPS)的存在。(1/3,1 / 3,1 /二Zrse和Zrte)和这些WPS携带非零拓扑费用。在对称性分析方面,我们进一步导出了两频段k。 P模型来描述这些WPS。对于大多数WPS,一阶理论足以再现围绕这些WPS的声光谱。但是,对于一些WPS,必须需要二阶理论。特别是,当二阶项发挥着前导作用时,K-H线上的拓扑电荷+/- 1WP伴随着k-h线路的相反电荷( - / + 1)的附近的三个WPS。这四个在空间上关闭(在往复空间中)WPS具有 - / + 2的总拓扑电荷 - / + 2.在晶体上(10(1)上)和(01(1)上方的条形)表面,我们观察到清除方式拓扑保护的非竞争声子表面弧状态连接两个WPS与相反的手性相同。我们的结果为这些WC型材料的拓扑声子的未来实验研究铺平了道路。

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  • 来源
    《Physical review》 |2019年第17期|174306.1-174306.16|共16页
  • 作者单位

    Chinese Acad Sci Inst Met Res Shenyang Natl Lab Mat Sci Shenyang 110016 Liaoning Peoples R China|Univ Chinese Acad Sci Beijing 100049 Peoples R China|RIKEN Computat Condensed Matter Phys Lab Wako Saitama 3510198 Japan;

    Chinese Acad Sci Inst Met Res Shenyang Natl Lab Mat Sci Shenyang 110016 Liaoning Peoples R China|Univ Sci & Technol China Sch Mat Sci & Engn Shenyang 110016 Liaoning Peoples R China;

    Chinese Acad Sci Inst Met Res Shenyang Natl Lab Mat Sci Shenyang 110016 Liaoning Peoples R China|Univ Chinese Acad Sci Beijing 100049 Peoples R China;

    Chinese Acad Sci Inst Met Res Shenyang Natl Lab Mat Sci Shenyang 110016 Liaoning Peoples R China|Univ Sci & Technol China Sch Mat Sci & Engn Shenyang 110016 Liaoning Peoples R China;

    Chinese Acad Sci Inst Met Res Shenyang Natl Lab Mat Sci Shenyang 110016 Liaoning Peoples R China|Univ Sci & Technol China Sch Mat Sci & Engn Shenyang 110016 Liaoning Peoples R China;

    Chinese Acad Sci Inst Met Res Shenyang Natl Lab Mat Sci Shenyang 110016 Liaoning Peoples R China|Univ Sci & Technol China Sch Mat Sci & Engn Shenyang 110016 Liaoning Peoples R China;

    Chinese Acad Sci Inst Met Res Shenyang Natl Lab Mat Sci Shenyang 110016 Liaoning Peoples R China|Univ Sci & Technol China Sch Mat Sci & Engn Shenyang 110016 Liaoning Peoples R China;

    RIKEN Computat Condensed Matter Phys Lab Wako Saitama 3510198 Japan|RIKEN Computat Mat Sci Res Team AICS Kobe Hyogo 6500047 Japan|RIKEN Computat Quantum Matter Res Team CEMS Wako Saitama 3510198 Japan;

    Chinese Acad Sci Inst Met Res Shenyang Natl Lab Mat Sci Shenyang 110016 Liaoning Peoples R China|Univ Sci & Technol China Sch Mat Sci & Engn Shenyang 110016 Liaoning Peoples R China;

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