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Ranjan, Rajeev; Nabi, Hasan Sadat; Pentcheva, Rossitza (2009): First principles study of magnetism in divalent Eu perovskites. In: Journal of Applied Physics, Vol. 105, Nr. 5
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Abstract

A comparative first principles study has been carried out for EuLiH(3)(ELH) and EuTiO(3) (ETO) using the generalized gradient approximation +Uapproach. While ELH exhibits ferromagnetic ground state for all volumes,the magnetic ground state of ETO has the tendency to switch from G-typeantiferromagnetic to a ferromagnetic state with change in volume. Themarked difference in magnetic behavior and magnitude of the nearestneighbors exchange interaction of both the compounds are shown to berelated to the difference in their respective electronic structure nearthe Fermi level. The Ti 3d states are shown to play predominant role inweakening the strength of the exchange interaction in ETO.