Structural and magnetic phases of topological kagome metal under pressure
Phys. Rev. B 114, 185118 – Published 15 September, 2026
DOI: https://doi.org/10.1103/sm7s-t8z4
Abstract
We investigate the pressure-induced evolution of crystal structure and magnetism in the kagome ferromagnet by combining x-ray diffraction, x-ray emission spectroscopy, x-ray magnetic circular dichroism, and spin-polarized density functional theory calculations. X-ray diffraction reveals a structural phase transition above , which coincides with a pronounced reduction of the local Fe magnetic moment evidenced by x-ray emission spectroscopy, indicating a high-spin to low-spin transition. While x-ray emission spectroscopy probes the amplitude of the local moment, XMCD provides direct information on the orientation of the ordered magnetic moments and uncovers a rich pressure–temperature magnetic phase diagram. At room temperature, a collinear ferromagnetic phase with moments aligned along the axis persists up to the structural transition. At low temperature, a tilted magnetic configuration remains stable to significantly higher pressures, while at intermediate temperatures pressure stabilizes the low-temperature magnetic phase at the expense of the high-temperature one. Spin-polarized first-principles calculations show that, although isotropic ferromagnetic exchange interactions remain robust under compression, pressure enhances spin-orbit-driven magnetic anisotropy and Dzyaloshinskii-Moriya interactions, favoring noncollinear magnetic configurations. Furthermore, hydrostatic pressure reconstructs the kagome-derived low-energy electronic structure, redistributes the Berry curvature in momentum space, and suppresses the intrinsic anomalous Hall conductivity despite the preservation of the metallic state. Our results demonstrate that pressure simultaneously reshapes the magnetic energy landscape of and Berry-phase electronic transport by coupling lattice, spin state, and relativistic magnetic interactions, establishing hydrostatic pressure as an effective control parameter to engineer magnetic anisotropy and electronic topological phases in kagome materials.