Phonon Signatures of Near-Room-Temperature Phase Transition in Quasi-One-Dimensional Bi <sub>4</sub> I <sub>4</sub> Topological Narrow-Gap Semiconductor

modes exhibit discontinuous, reversible shifts in frequency, line width, and relative intensity despite the absence of a space-group change. Density functional theory calculations reproduce the direction of the observed phonon renormalizations and confirm their sensitivity to stacking-dependent force constants. These results demonstrate that polarization-resolved Raman spectroscopy can detect subtle stacking-driven structural rearrangements that underlie topological band character, even when global crystallographic symmetry remains unchanged. The obtained results provide valuable insights into the interplay among lattice dynamics, structural distortions, and topological properties in this class of low-dimensional materials, with strong potential for unique functionalities.

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Publication Details

Journal
ACS Applied Materials & Interfaces
Published
2026-06-24
DOI
https://doi.org/10.1021/acsami.6c07650
Primary Topic
Topological Materials and Phenomena
Type
article
Field-Weighted Citation Impact
0.00

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Phonon Signatures of Near-Room-Temperature Phase Transition in Quasi-One-Dimensional Bi 4 I 4 Topological Narrow-Gap Semiconductor

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Phonon Signatures of Near-Room-Temperature Phase Transition in Quasi-One-Dimensional Bi 4 I 4 Topological Narrow-Gap Semiconductor

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article en

Abstract

modes exhibit discontinuous, reversible shifts in frequency, line width, and relative intensity despite the absence of a space-group change. Density functional theory calculations reproduce the direction of the observed phonon renormalizations and confirm their sensitivity to stacking-dependent force constants. These results demonstrate that polarization-resolved Raman spectroscopy can detect subtle stacking-driven structural rearrangements that underlie topological band character, even when global crystallographic symmetry remains unchanged. The obtained results provide valuable insights into the interplay among lattice dynamics, structural distortions, and topological properties in this class of low-dimensional materials, with strong potential for unique functionalities.

ACS Applied Materials & Interfaces
California NanoSystems Institute (US), University of California System (US), Materials Design (France) (FR), Auburn University (US)
Office of Naval Research, Division of Materials Research, Division of Graduate Education
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