Atomic Edge Resonators Flatten Phonon Bands in Biphenylene Nanoribbons

arXiv:2610.13342 · cond-mat.mes-hall · Submitted 2026-10-09 · Read on arXiv

cond-mat.mes-hall

Submitted: 2026-10-09

Updated: 2026-10-09

License: http://creativecommons.org/licenses/by-nc-nd/4.0/

The gist: We show that H--F edge complexes in biphenylene nanoribbons act as intrinsic atomic resonators, flattening low-frequency phonon branches.

Abstract

We show that H--F edge complexes in biphenylene nanoribbons act as intrinsic atomic resonators, flattening low-frequency phonon branches. With increasing wave vector, flexural and twisting vibrations concentrate at the edges while motion of the carbon backbone is suppressed. Displacement profiles and edge-mass tuning identify a local-resonance mechanism, an atomic counterpart of a tuned mass damper. Combining machine-learned interatomic potentials, frozen-phonon calculations, and density-functional tight binding, we find that weakly dispersive modes contribute substantially to thermal band-gap narrowing. Zero-point motion shifts the calculated gap closure toward the experimentally observed ribbon widths. A hexagonal boron nitride substrate preserves the principal spectral features while reducing thermal renormalization. These results establish edge chemistry as a route to nearly flat phonon bands and connect a local atomic resonance to the electronic response of an entire nanoribbon.

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