6𝐻-perovskite dimer lattice with antiferromagnetic interactions: Ba 3 Zn 1−𝑥 Ca 𝑥 Ru 2 O 9
Here, we investigate the magnetic behavior of the 6𝐻-perovskite dimer lattice Ba 3 Zn 1−𝑥 Ca 𝑥 Ru 2 O 9 using analytical theory, density functional theory, inelastic neutron scattering, and modeling of historical magnetization and neutron-scattering data. A dimer mean-field theory built upon classical Luttinger–Tisza analysis generates a phase diagram revealing a transition from a nonmagnetic singlet to a finite-moment ground state as interdimer couplings increase. A (generalized) linear spin-wave theory captures multiplet mixing, excitation gap closing, and fluctuation-induced moment suppression. Density-functional-theory calculations on selected compounds, together with neutron spectroscopy of dilute Ba 3 Zn(Ru 1−𝑥 Sb 𝑥 ) 2 O 9 , confirm the exchange hierarchy, enabling quantification of previously published experiments within this framework. Our results identify three mechanisms for magnetic moment suppression—quantum fluctuations, ligand hybridization, and nonmagnetic-singlet/magnetic-multiplet mixing.