Electronic structure and magnetism in Ir-Based double-perovskite Sr _2CeIrO_6

摘要

The electronic structure and magnetism of Sr_2CeIrO_6, an Ir-based double perovskite system has been investigated using first-principles calculations. We found that a strong spin-orbit coupling dictate the electronic and magnetic properties of this system. A small value of U along with SOC could open up a gap at the Fermi level, offering the possibility of novel J_(eff) = 1/2 Mott quantum state. Our calculations revealed that the magnetic ground state is antiferromagnetic which is in agreement with the magnetization data and provide the value of spin and orbital moment for this system which is in agreement with the other isostructural Ir-based compound.