Metal insulator transition in TlSr2CoO5 from orbital degeneracy and spin disproportionation

Physics – Condensed Matter – Strongly Correlated Electrons

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8 pages, 9 figures

Scientific paper

10.1103/PhysRevB.64.075104

To describe the metal insulator transition in the new oxide TlSr2CoO5 we investigate its electronic structure by LDA and model Hartree-Fock calculations. Within LDA we find a homogeneous metallic and ferromagnetic ground state, but when including the Coulomb interaction more explicitly within the Hartree-Fock approximation, we find an insulating state of lower energy with both spin and orbital order. We also interpret our results in terms of a simple model.

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