Sadurní, Emerson; Leyvraz, Francois; Stegmann, Thomas; Seligman, Thomas H.; Klein, Dou-
glas J.
Hidden duality and accidental degeneracy in cycloacene and Möbius cycloacene. (English)
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Zbl 1466.92283
J. Math. Phys. 62, No. 5, 052102, 19 p. (2021).
Summary: The accidental degeneracy appearing in cycloacenes as triplets and quadruplets is explained
with the concept of segmentation, introduced here with the aim of describing the effective disconnec-
tion of π orbitals on these organic compounds. For periodic systems with time reversal symmetry, the
emergent nodal domains are shown to divide the atomic chains into simpler carbon structures analog to
benzene rings, diallyl chains, anthracene (triacene) chains, and tetramethyl-naphthalene skeletal forms.
The common electronic levels of these segments are identified as members of degenerate multiplets of
the global system. The peculiar degeneracy of Möbius cycloacene is also explained by segmentation. In
the last part, it is shown that the multiplicity of energies for cycloacene can be foreseen by studying the
continuous limit of the tight-binding model; the degeneracy conditions are put in terms of Chebyshev
polynomials. The results obtained in this work have important consequences on the physics of electronic
transport in organic wires, together with their artificial realizations.
©2021 American Institute of Physics
MSC:
92E10 Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
51B10 Möbius geometries
Full Text: DOI
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