Infrared markers of topological phase transitions in quantum spin Hall insulators

Using first principles techniques, we show that infrared optical response allows us to discriminate between the topological and the trivial phases of 2D quantum spin Hall insulators (QSHI). We showcase germanene and jacutingaite, of recent experimental realization, as prototypical systems where the infrared spectrum is discontinuous across the transition, due to sudden and large discretized jumps of the Born effective charges (up to ~2). Our results, rationalized thanks to the low-energy Kane-Mele model, are robust with respect to dynamical effects, relevant when the electronic energy gap is comparable with the phonon frequency. In the small gap QSHI germanene, due to dynamical effects, the in-plane phonon resonance in the optical conductivity shows a Fano profile with remarkable differences in the intensity and the shape between different phases. Instead, the large-gap QSHI jacutingaite presents several IR-active phonon modes whose spectral intensities drastically change between different phases.

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Publication Details

Journal
npj Computational Materials
Published
2025-10-16
DOI
https://doi.org/10.1038/s41524-025-01780-6
Citations
1
Primary Topic
Topological Materials and Phenomena
Type
article
Field-Weighted Citation Impact
1.25

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article

Infrared markers of topological phase transitions in quantum spin Hall insulators

Francesco Macheda, Paolo Barone, Francesco Mauri, Paolo Fachin
1 citations
npj Computational Materials
Topological Materials and Phenomena
1.25
article

Infrared markers of topological phase transitions in quantum spin Hall insulators

Francesco Macheda, Paolo Barone, Francesco Mauri, Paolo Fachin
article en
1 citations

Abstract

Using first principles techniques, we show that infrared optical response allows us to discriminate between the topological and the trivial phases of 2D quantum spin Hall insulators (QSHI). We showcase germanene and jacutingaite, of recent experimental realization, as prototypical systems where the infrared spectrum is discontinuous across the transition, due to sudden and large discretized jumps of the Born effective charges (up to ~2). Our results, rationalized thanks to the low-energy Kane-Mele model, are robust with respect to dynamical effects, relevant when the electronic energy gap is comparable with the phonon frequency. In the small gap QSHI germanene, due to dynamical effects, the in-plane phonon resonance in the optical conductivity shows a Fano profile with remarkable differences in the intensity and the shape between different phases. Instead, the large-gap QSHI jacutingaite presents several IR-active phonon modes whose spectral intensities drastically change between different phases.

npj Computational MaterialsVol. 11(1)
University of Rome Tor Vergata (IT), Sapienza University of Rome (IT)
China Scholarship Council
Openalex Percentile: Top 16%
Topological Materials and Phenomena
1.25
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Infrared markers of topological phase transitions in quantum spin Hall insulators — Francesco Macheda, Paolo Barone, et al. · npj Computational Materials (2025) | TGRS Research Map | TGRS