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Universal vibrational anharmonicity in carbyne-like materials

Author

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  • Johannes M. A. Lechner

    (Humboldt-Universität zu Berlin)

  • Pietro Marabotti

    (Humboldt-Universität zu Berlin)

  • Lei Shi

    (Sun Yat-sen University)

  • Thomas Pichler

    (Universität Wien)

  • Carlo Spartaco Casari

    (Politecnico di Milano)

  • Sebastian Heeg

    (Humboldt-Universität zu Berlin)

Abstract

Carbyne, an infinite linear chain of carbon atoms, is the truly one-dimensional allotrope of carbon. While ideal carbyne and its fundamental properties have remained elusive, carbyne-like materials such as carbyne chains confined inside carbon nanotubes are available for study. Here, we probe the longitudinal optical phonon (C mode) of confined carbyne chains by Raman spectroscopy up to the third overtone. We observe a strong vibrational anharmonicity that increases with decreasing C mode frequency, reaching up to 8% for the third overtone. Moreover, we find that the relation between vibrational anharmonicity and C mode frequency is universal to carbyne-like materials, including ideal carbyne. This establishes experimentally that carbyne and related materials have pronounced anharmonic potential landscapes which must be included in the theoretical description of their structure and properties.

Suggested Citation

  • Johannes M. A. Lechner & Pietro Marabotti & Lei Shi & Thomas Pichler & Carlo Spartaco Casari & Sebastian Heeg, 2025. "Universal vibrational anharmonicity in carbyne-like materials," Nature Communications, Nature, vol. 16(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-59555-y
    DOI: 10.1038/s41467-025-59555-y
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