Is the ground state of 5d4 double-perovskite Iridate Ba2YIrO6 magnetic or nonmagnetic?

Abstract

We have investigated electronic structures and magnetic properties of double perovskite Iridate Ba2YIrO6 with configuration, employing the exact diagonalization method for multi-site clusters. We have considered a many-body Hamiltonian for all d states ( and ) including all relevant physical parameters such as the Coulomb correlation, spin-orbit coupling, crystal-field effect, and Hund coupling. We have found that the ground state of Ba2YIrO6 is nonmagnetic and that the Hund coupling plays an important role in the magnetic properties of the systems, unlike the well-studied systems.