The 6H-Perovskite Dimer Lattice with Antiferromagnetic Interactions: Ba$_3$ARu$_2$O$_9$

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Main Authors: Pajerowski, Daniel M., Dahlbom, David A., Phelan, Daniel, Li, Yu, Kolesnikov, Alexander I.
Format: Preprint
Published: 2025
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author Pajerowski, Daniel M.
Dahlbom, David A.
Phelan, Daniel
Li, Yu
Kolesnikov, Alexander I.
author_facet Pajerowski, Daniel M.
Dahlbom, David A.
Phelan, Daniel
Li, Yu
Kolesnikov, Alexander I.
contents 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 on select compounds and neutron spectroscopy on 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.
format Preprint
id arxiv_https___arxiv_org_abs_2508_10676
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle The 6H-Perovskite Dimer Lattice with Antiferromagnetic Interactions: Ba$_3$ARu$_2$O$_9$
Pajerowski, Daniel M.
Dahlbom, David A.
Phelan, Daniel
Li, Yu
Kolesnikov, Alexander I.
Strongly Correlated Electrons
Materials Science
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 on select compounds and neutron spectroscopy on 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.
title The 6H-Perovskite Dimer Lattice with Antiferromagnetic Interactions: Ba$_3$ARu$_2$O$_9$
topic Strongly Correlated Electrons
Materials Science
url https://arxiv.org/abs/2508.10676