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    Thermodynamics of Linear Carbon Chains

    Nathalia L. Costa1,*, Keshav Sharma2,*, Yoong Ahm Kim3, Go Bong Choi3, Morinobu Endo4, Newton M. Barbosa Neto5,†, Alexandre R. Paschoal1,‡, and Paulo T. Araujo2,§

    • 1Department of Physics, Federal University of Ceara, 60455-760 Fortaleza, Ceara, Brazil
    • 2Department of Physics and Astronomy, University of Alabama, Tuscaloosa, Alabama 35487, USA
    • 3Department of Polymer Engineering, School of Polymer Science and Engineering, and Alan G. MacDiarmid Energy Research Institute, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186, Republic of Korea
    • 4Faculty of Engineering, Shinshu University, 4-17-1 Wakasato, Nagano-shi 380-8553, Japan
    • 5Institute of Natural Sciences, Graduate Program in Physics, Federal University of Para, 66075-110 Belem, PA, Brazil

    • *These authors contributed equally to this work.
    • †Corresponding author. barbosaneto@ufpa.br
    • ‡Corresponding author. paschoal@fisica.ufc.br
    • §Corresponding author. ptaraujo@ua.edu

    Phys. Rev. Lett. 126, 125901 – Published 26 March, 2021

    DOI: https://doi.org/10.1103/PhysRevLett.126.125901

    Abstract

    Linear carbon chains (LCCs) are one-dimensional materials with unique properties, including high Debye temperatures and restricted selection rules for phonon interactions. Consequently, their Raman C-band frequency’s temperature dependence is a probe to their thermal properties, which are well described within the Debye formalism even at room temperatures. Therefore, with the basis on a semiempirical approach we show how to use the C band to evaluate the LCCs’ internal energy, heat capacity, coefficient of thermal expansion, thermal strain, and Grüneisen parameter, providing universal relations for these quantities in terms of the number of carbons atoms and the temperature.

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