Varying topological properties of two-dimensional honeycomb lattices composed of endohedral fullerenes

Zeng, Jiang; Zhang, Yan-Fang; Qin, Wei; Cui, Ping; Yan, Qimin; Zhang, Zhenyu

doi:10.1103/physrevb.100.045143

Title: Varying topological properties of two-dimensional honeycomb lattices composed of endohedral fullerenes

Journal Article · Mon Jul 29 00:00:00 EDT 2019 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.100.045143· OSTI ID:1611876

^[1]; Zhang, Yan-Fang ^[2]; Qin, Wei ^[3]; Cui, Ping ^[3]; Yan, Qimin ^[4]; Zhang, Zhenyu ^[3]

Univ. of Science and Technology of China, Anhui (China); Temple Univ., Philadelphia, PA (United States); Beijing Computational Science Research Center (China)
Temple Univ., Philadelphia, PA (United States); Chinese Academy of Sciences (CAS), Beijing (China)
Univ. of Science and Technology of China, Anhui (China)
Temple Univ., Philadelphia, PA (United States)

Honeycomb lattices (HLs) have been widely explored for realization of massless Dirac quasiparticles and intriguing topological properties in both the quantum and classical regimes, with elemental and artificial atoms as the corresponding building blocks. Here we provide a demonstration showing that when the fullerene molecules of C₂₈ are used as prototypical building blocks, stable two-dimensional (2D) HLs can also be achieved, with the structural, electronic, and topological properties tuned via proper atom encapsulation. Specifically, whereas a closely packed structure is preferred for the C₂₈ lattice, honeycomb structures with different spacial symmetries are energetically favored for both the Bi@C₂₈ and In@C₂₈ endohedral fullerenes. In particular, Bi@C₂₈-HL is revealed to be a quantum spin Hall insulator because of strong spin-orbit coupling effects in the f molecular orbitals, while In@C₂₈-HL is a quantum valley Hall insulator resulting from mirror symmetry breaking. Here, the present study offers superatom-based platforms for realizing quantum spin Hall and quantum valley Hall effects in 2D systems, with distinctly enhanced tunability and robustness against atomic-scale imperfections.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Complex Materials from First Principles (CCM); Temple Univ., Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012575

OSTI ID:: 1611876

Alternate ID(s):: OSTI ID: 1545477

Journal Information:: Physical Review B, Vol. 100, Issue 4; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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