Nanostructured topological state in bismuth nanotube arrays: Inverting bonding-antibonding levels of molecular orbitals
SCIE
SCOPUS
- Title
- Nanostructured topological state in bismuth nanotube arrays: Inverting bonding-antibonding levels of molecular orbitals
- Authors
- Jin, K.-H.; Jhi, S.-H.; Liu, F.
- Date Issued
- 2017-11
- Publisher
- Royal Society of Chemistry
- Abstract
- We demonstrate a new class of nanostructured topological materials that exhibit a topological quantum phase arising from nanoscale structural motifs. Based on first-principles calculations, we show that an array of bismuth nanotubes (Bi-NTs), a superlattice of Bi-NTs with periodicity in the order of tube diameter, behaves as a nanostructured two-dimensional (2D) quantum spin Hall (QSH) insulator, as confirmed from the calculated band topology and 1D helical edge states. The underpinning mechanism of the QSH phase in the Bi-NT array is revealed to be inversion of bonding-antibonding levels of molecular orbitals of constituent nanostructural elements in place of atomic-orbital band inversion in conventional QSH insulators. The quantized edge conductance of the QSH phase in a Bi-NT array can be more easily isolated from bulk contributions and their properties can be highly tuned by tube size, representing distinctive advantages of nanostructured topological phases. Our finding opens a new avenue for topological materials by extending topological phases into nanomaterials with molecular-orbital-band inversion. ? 2017 The Royal Society of Chemistry.
- Keywords
- Bismuth; Calculations; Molecular orbitals; Nanostructured materials; Nanotubes; Quantum chemistry; Quantum theory; Yarn; Bulk contributions; First-principles calculation; Quantum spin halls; Structural motifs; Topological materials; Topological phasis; Topological state; Two Dimensional (2 D); Topology
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/50556
- DOI
- 10.1039/c7nr05325h
- ISSN
- 2040-3364
- Article Type
- Article
- Citation
- Nanoscale, vol. 9, no. 43, page. 16638 - 16644, 2017-11
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