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강상관계 물질 연구단
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Two-dimensional higher-order topology in monolayer graphdiyne

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Title
Two-dimensional higher-order topology in monolayer graphdiyne
Author(s)
Eunwoo Lee; Rokyeon Kim; Junyeong Ahn; Bohm-Jung Yang
Publication Date
2020-01
Journal
NPJ Quantum Materials, v.5, no.1, pp.1 -
Publisher
Nature Publishing Group
Abstract
© 2020, The Author(s).Based on first-principles calculations and tight-binding model analysis, we propose monolayer graphdiyne as a candidate material for a two-dimensional higher-order topological insulator protected by inversion symmetry. Despite the absence of chiral symmetry, the higher-order topology of monolayer graphdiyne is manifested in the filling anomaly and charge accumulation at two corners. Although its low energy band structure can be properly described by the tight-binding Hamiltonian constructed by using only the pz orbital of each atom, the corresponding bulk band topology is trivial. The nontrivial bulk topology can be correctly captured only when the contribution from the core levels derived from px,y and s orbitals are included, which is further confirmed by the Wilson loop calculations. We also show that the higher-order band topology of a monolayer graphdyine gives rise to the nontrivial band topology of the corresponding three-dimensional material, ABC-stacked graphdiyne, which hosts monopole nodal lines and hinge states
URI
https://pr.ibs.re.kr/handle/8788114/7052
ISSN
2397-4648
Appears in Collections:
Center for Correlated Electron Systems(강상관계 물질 연구단) > Journal Papers (저널논문)
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