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First principles study of magnetism in divalent Eu perovskites

Ranjan, Rajeev and Nabi, Hasan Sadat and Pentcheva, Rossitza (2009) First principles study of magnetism in divalent Eu perovskites. In: Journal Of Applied Physics, 105 (5). 053905-1-053905-4.

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A comparative first principles study has been carried out for EuLiH3 (ELH) and EuTiO3 (ETO) using the generalized gradient approximation +U approach. While ELH exhibits ferromagnetic ground state for all volumes, the magnetic ground state of ETO has the tendency to switch from G-type antiferromagnetic to a ferromagnetic state with change in volume. The marked difference in magnetic behavior and magnitude of the nearest neighbors exchange interaction of both the compounds are shown to be related to the difference in their respective electronic structure near the Fermi level. The Ti 3d states are shown to play predominant role in weakening the strength of the exchange interaction in ETO.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to American Institute of Physics.
Keywords: antiferromagnetic materials;density functional theory;europium compounds;exchange interactions (electron);Fermi level;ferromagnetic materials;ground states; lithium compounds;magnetic structure;magnetic switching.
Department/Centre: Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Depositing User: Rajalaxmi Ashok Govanakoppa
Date Deposited: 01 May 2009 08:53
Last Modified: 19 Sep 2010 05:29
URI: http://eprints.iisc.ac.in/id/eprint/19676

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