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    Ultrahigh-pressure structural evolution of holmium to 327 GPa

    Hongkai Li1,2,*, Mingyu Li1,*, Xiaokuan Hao1,*, Zhongyan Wu1,†, Hechong Wang1, Shaojie Wang1, Jing Song1, Ke Yang3, Guoying Gao1,‡ et al.

    Lin Wang1,§ and Yongjun Tian1

    • *These authors contributed equally to this work.
    • †Contact author: wuzhongyan@ysu.edu.cn
    • ‡Contact author: gaoguoying@ysu.edu.cn
    • §Contact author: linwang@ysu.edu.cn

    Phys. Rev. B 113, 214107 – Published 15 June, 2026

    DOI: https://doi.org/10.1103/lzlp-zwnn

    Abstract

    Synchrotron X-ray diffraction measurements of holmium were conducted up to 327 GPa using toroidal diamond-anvil cells, revealing a complete structural sequence of hcp→Sm-type→dhcp→dfcc→oF16→oF8. The oF16→oF8 transition initiates around 257 GPa, approximately 60 GPa higher than that in dysprosium, and these two phases coexist up to the highest pressure studied. The transition proceeds sluggishly without a measurable volume discontinuity, indicating an anisotropic lattice rearrangement rather than abrupt 4f electron delocalization. The oF8 phase exhibits the highest incompressibility among the observed phases, completing the systematic evolution of the heavy lanthanides and underscoring the unified oF16→oF8 sequence in 4f and 5f metals. First-principles calculations of phonon dispersion and enthalpy indicate that both oF16 and oF8 are dynamically stable at 325 GPa and remain nearly degenerate over a broad pressure range, consistent with the experimentally observed phase coexistence. Based on comparative analysis, this work also discusses potential method optimizations for high-pressure structural studies of rare-earth metals using toroidal diamond-anvil cells, including calibrant and gasket configurations that could improve data quality in future multi-megabar investigations.

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