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    Dirac nodal line phonons: Theoretical recipe and material realization

    Zhiyong Yang1, Kexin Huang1, Hua Guo1, Jing Fan2, Shaomei Chang1,*, Rui Wang3,4,5,†, and Baobing Zheng1,6,‡

    • 1College of Physics and Optoelectronic Technology, Baoji University of Arts and Sciences, Baoji 721016, People's Republic of China
    • 2Center for Computational Science and Engineering, Southern University of Science and Technology, Shenzhen 518055, People's Republic of China
    • 3Institute for Structure and Function & Department of Physics, Chongqing University, Chongqing 400044, People's Republic of China
    • 4Chongqing Key Laboratory for Strongly Coupled Physics, Chongqing 400044, People's Republic of China
    • 5Center of Quantum Materials and Devices, Chongqing University, Chongqing 400044, People's Republic of China
    • 6Lanzhou Center for Theoretical Physics, Key Laboratory of Theoretical Physics of Gansu Province, and Key Laboratory of Quantum Theory and Applications of MoE, Lanzhou University, Lanzhou, Gansu 730000, People's Republic of China

    • *Contact author: csm7027@163.com
    • †Contact author: rcwang@cqu.edu.cn
    • ‡Contact author: scu_zheng@163.com

    Phys. Rev. B 112, 174304 – Published 3 November, 2025

    DOI: https://doi.org/10.1103/33b6-1z4b

    Abstract

    Dirac nodal lines (DNLs), whose fourfold degenerate nodes with linear dispersion form a continuous line in reciprocal space, have been extensively investigated in the condensed matter community due to their intriguing topological and transport properties. However, a uniform approach to efficiently and expediently exploring the symmetry-enforced DNLs is quite lacking in bosonic systems, especially for the recently proposed topological phonons. Here, based on the group representation theory analysis, we present a recipe for discovering the DNL phonons along high symmetry lines (HSLs) in all space groups. The results show that only five space groups with inversion symmetry are identified to host the DNL phonons along seven HSLs. Furthermore, using first-principles calculations, we screen out a set of realistic materials as the ideal candidates to realize the DNL phonons along HSLs. The Zintl phase K2BaSi4 and pyrite-type PdAs2 are selected as examples to elaborate the DNLs and their related topological features. Our work not only paves the way to explore the novel DNL phonons, but also provides realistic material candidates to facilitate the possible experimental observation of DNLs in phonon systems.

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