Abstract
Local density approximation plus on-site Coulomb interaction U band structure calculations reveal that SrRuO3 exhibits a half-metallic ground state with an integer spin moment of 2.0 microB/SrRuO3. An associated tilting 4dt2g orbital ordering on a Ru sublattice is observed under the on-site Coulomb interaction U in the presence of lattice distortion. This finding unravels the on-site Coulomb correlation as the driving force of the 4d orbital ordering and Jahn-Teller distortion as well as of the half-metallic ground state.
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