Coexisting paramagnetic spins and long-range magnetic order in
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 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 trimer, while the central Ru(1) site remains nonmagnetic. The Néel temperature is reduced from 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 trimer state. Atomistic simulations incorporating this paramagnetic dilution reproduce the suppressed ordering temperature and the coexistence of ordered and paramagnetic components.