Interplanar Magnetic Orders and Symmetry-Tuned Zero Thermal Expansion in Kagome Metal (Zr,Ta)Fe2

CHEMISTRY OF MATERIALS(2023)

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Abstract
An alternative strategy was proposed for a family of kagom & eacute; metals (Zr,Ta)Fe-2 to tailor thermal expansion by utilizing thermodynamic phase stability rather than by conventionally altering chemical composition. An isotropic zero thermal expansion (ZTE, alpha(l) similar to + 0.9 x 10(-6) K-1, 10-430 K) is demonstrated in high-quality cubic ingots over a superior magnetic ordering temperature window up to 430 K. A combined neutron diffraction, M & ouml;ssbauer spectrum, and theoretical calculations analysis fundamentally uncover that the magnetic ordering of adjacent kagom & eacute; Fe-layers intimately changes from antiferromagnetic to ferromagnetic on transforming from hexagonal to cubic symmetry. Due to lifting of the interplanar magnetic frustration, magnetic ordering is enhanced and enables a strong temperature-induced longitudinal spin fluctuations, thus leading to large magnetic compensation for lattice thermal expansion.
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Key words
thermal expansion,kagomé metal,magnetic,zrtafe<sub>2</sub>,symmetry-tuned
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