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    Coexisting paramagnetic spins and long-range magnetic order in Ba4(Ru0.92Ir0.08)3O10

    Farhan Islam1, Jiasen Guo1, Wei Tian1, Bing Li1, Xudong Huai2, Thao T. Tran2, Gang Cao3, Zachary Morgan1, and Feng Ye1,*

    • *Contact author: yef1@ornl.gov

    Phys. Rev. B 114, 034416 – Published 16 July, 2026

    DOI: https://doi.org/10.1103/ss1j-29zf

    Abstract

    We investigate the effect of dilute Ir substitution on the magnetism of the trimer-based ruthenate Ba4Ru3O10 using neutron diffraction, magnetic susceptibility measurements, first-principles calculations, and atomistic simulations. Neutron diffraction shows that Ir doping preserves the zigzag antiferromagnetic structure and the ordered-moment magnitude of the parent compound, in which the moments reside exclusively on the two outer Ru(2) sites of each Ru3O12 trimer, while the central Ru(1) site remains nonmagnetic. The Néel temperature is reduced from ∼105 to 84.0(1) K upon 8% Ir substitution, while magnetic susceptibility reveals a pronounced low-temperature Curie-like upturn, indicating the coexistence of paramagnetic spins with long-range antiferromagnetic order. Density-functional calculations show that Ir preferentially occupies the central Ru(1) site, which disrupts the exchange pathways of the affected Ru3O12 trimer state. Atomistic simulations incorporating this paramagnetic dilution reproduce the suppressed ordering temperature and the coexistence of ordered and paramagnetic components.

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