Localization in ruthenates: magnetic and electronic properties of Ca(2-x)Sr(x)RuO(4)
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The electronic structures of the metallic and insulating phases of Ca(2-x)Sr(x)RuO(4) (0<= x <= 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. For x=0 the ground state is an orbitally non-degenerate antiferromagnetic insulator. For 0.2<x<0.5 we propose a state with partial orbital and spin ordering. For x>0.5 the observed Curie-Weiss paramagnetic metallic state possessing a local moment with the unexpected spin S=1/2 is explained by the localization of only two of the three Ru-4d-orbitals.
4 pages, 1 figure, 1 table
4 pages, 1 figure, 1 table