title: Orbital ordering and Jahn-Teller distortion in Perovskite ruthenate SrRuO3.
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.
authors.affiliation: Institute of Physics, Academia Sinica, Taipei 11529, Taiwan.
authors.forename: Horng-Tay
authors.initials: HT
authors.lastname: Jeng
authors.forename: Shi-Hsin
authors.initials: SH
authors.lastname: Lin
authors.forename: Chen-Shiung
authors.initials: CS
authors.lastname: Hsue