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We unveil that the holey graphyne (HGY), a two-dimensional carbon allotrope where benzene rings are connected by two −C≡C− bonds fabricated recently in a bottom-up way, exhibits topological electronic states. Using first-principles calculations and Wannier tight-binding modeling, we discover a higher-order topological invariant associated with C2 symmetry of the material, and show that the resultant corner modes appear in nanoflakes matching to the structure of precursor reported previously, which are ready for direct experimental observations. In addition, we find that a band inversion between emergent g-like and h-like orbitals gives rise to a nontrivial topology characterized by Z2 invariant protected by an energy gap as large as 0.52 eV, manifesting helical edge states mimicking those in the prominent quantum spin Hall effect, which can be accessed experimentally after hydrogenation in HGY. We hope these findings trigger interests towards exploring the topological electronic states in HGY and related future electronics applications.

権利情報:

• Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International
  This is the Accepted Manuscript version of an article accepted for publication in Nanotechnology. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at https://dx.doi.org/10.1088/1361-6528/ad2483

キーワード: holey graphyne, band structure, higher order topology, first-principle calculation

刊行年月日: 2024-05-06

出版者: IOP Publishing

掲載誌:

• Nanotechnology (ISSN: 09574484) vol. 35 issue. 19 p. 195201-

研究助成金:

• JST JPMJCR18T4 (CREST)

原稿種別: 著者最終稿 (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.4792

公開URL: https://doi.org/10.1088/1361-6528/ad2483

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更新時刻: 2025-02-23 22:48:56 +0900

MDRでの公開時刻: 2025-02-23 22:48:56 +0900