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    Reorientable ferroelectricity with multiple polarization states in two-dimensional g-C3N4

    Junbai Liao1, Zhenqing Li2,*, Jin Li1,†, Chaoyu He1, Tao Ouyang1, Jianxin Zhong3, and Chao Tang1,‡

    • 1Hunan Provincial Key Laboratory of Computational Condensed Matter Science and Quantum Materials Engineering and School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, People's Republic of China
    • 2School of Physics and Electronic Sciences, Changsha University of Science and Technology, Changsha 410114, People's Republic of China
    • 3Institute for Quantum Science and Technology, Shanghai University, Shanghai 200444, China

    • *Contact author: zheqingli@csust.edu.cn
    • †Contact author: lijin@xtu.edu
    • ‡Contact author: tang_chao@xtu.edu.cn

    Phys. Rev. B 113, 155444 – Published 28 April, 2026

    DOI: https://doi.org/10.1103/ntng-1pbg

    Abstract

    Ferroelectric multiple polarization states offer higher information storage density and promising opportunities for neuromorphic computing, making them an important frontier in next-generation ferroelectric research. Reorientable ferroelectrics provide an alternative pathway to realize multiple polarization states. In this work, we report that two-dimensional graphitic carbon nitride (g−C3N4) exhibits this reorientable ferroelectric behavior, originating from its distinctive internal structure. First-principles calculations reveal that both Pca21-triazine and Pca21-heptazine g−C3N4 exhibit spontaneous polarization with three equivalent ferroelectric states, each separated by 120°. Unlike conventional ferroelectrics, they do not exhibit antiparallel polarization and therefore cannot undergo polarization flipping. Instead, they possess several polarization states oriented along different directions. The piezoelectric coefficients d22 of the Pca21-triazine and Pca21-heptazine g−C3N4 are 1.33 and 0.97 pm/V. Such novel properties highlight g−C3N4 as a promising candidate for future miniaturized and integrated multifunctional electronic devices.

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