The 6H-Perovskite Dimer Lattice with Antiferromagnetic Interactions: Ba3ARu2O9
Abstract
We investigate the magnetic behavior of the 6H-perovskite dimer lattice Ba3Zn1-xCaxRu2O9 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 on select compounds and neutron spectroscopy on dilute Ba3Zn(Ru1-xSbx)2O9 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.
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