Magnetic behavior of the $5d^1$ Re-based double perovskite Sr${}_2$ZnReO${}_6$

Abstract

The subtle interplay between spin-orbit coupling, exchange interactions, and cation ordering can lead to exotic magnetic states in transition-metal ions. We report a comprehensive study of the Re-based (5$d^1$) ordered double perovskite oxide Sr${}_2$ZnReO${}_6$ combining synchrotron x-ray diffraction (XRD), magnetic susceptibility, muon spin relaxation ($\mu$SR) measurements, and density functional theory (DFT) calculations. XRD reveals that Sr${}_2$ZnReO${}_6$ crystallizes in the monoclinic structure (space group $P{2}_1/n$) at low temperature. Magnetic susceptibility data indicate a transition below $\sim$13 K, with $M$--$H$ loops showing ferromagnetic-like hysteresis and an unusually high coercive field of 23 kOe at 2 K. Zero-field $\mu$SR measurements detect static and spatially disordered internal fields below $T_M\simeq$ 12 K, consistent with a canted antiferromagnetic ground state determined by detailed DFT and force-theorem in Hubbard-I calculations. The reduced high-temperature effective moment ($\sim 0.76{\mu }_B$) and very small static moment ($\lesssim 0.2{\mu }_B$) derived from $\mu$SR analysis and local-field simulations indicate a decisive role of spin-orbit coupling. Through a combined experimental and computational approach we unambiguously determine the canted antiferromagnetic order in Sr${}_2$ZnReO${}_6$, showing that a very small ordered moment coexists with an exceptionally large coercivity. These results underscore the crucial role of spin-orbit coupling and orbital ordering, providing new insights into magnetism in 5$d^1$ double perovskites.

11 pages, 5 figures, and 1 Table

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