Universal vibrational anharmonicity in carbyne-like materials

Author(s)
Johannes M.A. Lechner, Pietro Marabotti, Lei Shi, Thomas Pichler, Carlo Spartaco Casari, Sebastian Heeg
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.

Organisation(s)
Electronic Properties of Materials
External organisation(s)
Humboldt-Universität zu Berlin, Sun Yat-sen University, Politecnico di Milano
Journal
Nature Communications
Volume
16
Pages
4360
No. of pages
8
ISSN
2041-1723
DOI
https://doi.org/10.48550/arXiv.2410.14820
Publication date
05-2025
Peer reviewed
Yes
Austrian Fields of Science 2012
103009 Solid state physics, 103018 Materials physics, 103020 Surface physics
ASJC Scopus subject areas
General Chemistry, General Biochemistry,Genetics and Molecular Biology, General Physics and Astronomy
Portal url
https://ucrisportal.univie.ac.at/en/publications/9fa2c5d5-50bf-4468-881b-d20f9572f075