Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2001-07-04
Physics
Condensed Matter
Strongly Correlated Electrons
11 pages, 8 figures, 2 tables
Scientific paper
The electronic structures of the metallic and insulating phases of the alloy series Ca(2-x)Sr(x)RuO4 (0 <= x <= 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. In the end members the groundstate respectively is an orbitally non-degenerate antiferromagnetic insulator (x=0) and a good metal (x=2). For x>0.5 the observed Curie-Weiss paramagnetic metallic state which possesses a local moment with the unexpected spin S=1/2, is explained by the coexistence of localized and itinerant Ru-4d-orbitals. For 0.2
Anisimov Vladimir I.
Kondakov D. E.
Nekrasov I. A.
Rice Maurice T.
Sigrist Manfred
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