Metal-insulator transition in the double perovskites

Details Metal-insulator transition in the double perovskites Metal-insulator transition in the double perovskites

2001-05-29

arxiv.org/abs/cond-mat/0105566v1

Phys. Rev. B 64, 092414 (2001)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 3 figures, submitted to Phys. Rev. B

Scientific paper

10.1103/PhysRevB.64.092414

We construct an effective Hamiltonian for the motion of electrons among the transition metal ions of ordered double perovskites like Sr2FeMoO6. in which strong intra-atomic Coulomb repulsion U is present in only one of the inequivalent transition metal sites. Using a slave-boson formalism, we construct a phase diagram which describes a charge transfer transition between insulating and metallic behavior as the parameters of the model are changed. The parameters for Sr2FeMoO6 are estimated from first-principles calculations and a transition to the insulating state with negative pressure is obtained.

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