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arXiv · 1604.08931

Ferromagnetic Mott-Insulating State in Double Perovskites Gd2MgIrO6

M. P. Ghimire·R. K. Thapa
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Abstract

We have studied the electronic and magnetic properties of double perovskites Gd2MgIrO6 by first-principles density functional theory (DFT). Based on the DFT calculations, Gd2MgIrO6 is found to have a ferromagnetic (FM) ground state. The material undergo half-metallic ferromagnets to Mott-Hubbard insulator transition which happens due to strong correlation in Gd-4f and Ir-5d states. Our results shows that the 5d electrons of Ir hybridize strongly with O-2p states near the Fermi level giving rise to the insulating state of Gd2MgIrO6. Our study suggests that the enhanced magnetic moment is a result of itinerant exchange rather than the exchange interaction involving individual ions of Gd and Ir atoms. The total magnetic moment calculated in the present studies is 15 {\mu}B per formula unit for Gd2MgIrO6.

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M. P. Ghimire, R. K. Thapa. 2016-04-29. Ferromagnetic Mott-Insulating State in Double Perovskites Gd2MgIrO6. https://arxiv.org/abs/1604.08931

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