Electronic Structure and magnetism in Ir based double-perovskite Sr2_2CeIrO6_6

preprint2013arXivOpen access

Abstract

The electronic structure and magnetism of Sr2_2CeIrO6_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 UU along with SOC could open up a gap at the Fermi level, offering the possibility of novel Jeff_{eff} = 1/2 Mott quantum state. Our calculations reveal that the magnetic ground state is antiferromagnetic 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.

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