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    Magnonic properties of hematite α-Fe2O3: A combined ab initio and atomistic spin dynamics study

    Shanshan Hu1,2,*, Ziyang Li1,*, Liya Qiao2, Yuzhong Zhang2, Zongzhi Zhang1,†, and Yaowen Liu2,‡

    • 1Key Laboratory of Micro and Nano Photonic Structures (MOE), College of Future Information Technology, Fudan University, Shanghai 200433, China
    • 2School of Physics Science and Engineering, Tongji University, Shanghai 200092, China

    • *These authors contributed equally to this work.
    • †Contact author: zzzhang@fudan.edu.cn
    • ‡Contact author: yaowen@tongji.edu.cn

    Phys. Rev. B 113, 214432 – Published 11 June, 2026

    DOI: https://doi.org/10.1103/c15n-vl24

    Abstract

    Altermagnets are promising candidates for next-generation low-dissipation magnonic devices due to their ultrafast spin dynamics and chiral splitting magnon bands. Hematite α−Fe2O3, a widely recognized altermagnet with an ultralow damping constant, subterahertz magnon frequencies, and remarkable magnon properties, provides an ideal platform for exploring magnonic functionalities. Here, we combine DFT-based first-principles calculations with atomistic spin-dynamics simulations to construct a four-sublattice atomistic altermagnetic model of α−Fe2O3 in both easy-axis and easy-plane phases. Linear spin-wave theory (LSWT) calculations confirm that the magnon bands exhibit chiral nondegeneracy along low-symmetry K paths. In contrast to the easy-axis phase, the magnon bands in the easy-plane phase split into high-frequency and low-frequency branches near the Γ point. Atomistic magnon-resonance dynamical simulations further reveal the magnetic-moment precession modes with atomic resolution at the Γ point. We show that variations in the excitation field direction lead to distinct magnon-resonance modes, which give rise to the observed frequency gap in the easy-plane phase. Our work establishes a comprehensive framework for atomistic-scale magnon investigations in altermagnets, bridging first-principles calculations and atomistic spin-dynamics simulations, and provides microscopic insights into magnon dynamics in α−Fe2O3.

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