Understanding the Magnetic Behavior of CoNb₂O₆ and cousin compounds: Insights from ab-initio Modeling

The magnetic properties of low-dimensional systems continue to attract attention, particularly in compounds featuring transition metal ions with partially filled d-orbitals. The discussed properties include dominant or antiferromagnetic Kitaev interactions or diverse parametrizations of the quasi-one-dimensional ferromagnet CoNb₂O₆.

We employ an ab-initio based model to investigate the magnetism within this family of materials. The approach involves the modeling of an ab-initio derived Hubbard Hamiltonian and utilizing projective diagonalization techniques to construct a Spin Hamiltonian.

This presentation discusses the results of our theoretical modeling approach in the context of experimental observations, giving insights into the microscopic origins of the effective magnetic interactions in CoNb₂O₆ and related compounds.