Electronic Structure of Sr_2FeMoO_6

Details Electronic Structure of Sr_2FeMoO_6 Electronic Structure of Sr_2FeMoO_6

2000-08-28

arxiv.org/abs/cond-mat/0008401v1

Physics

Condensed Matter

Strongly Correlated Electrons

To appear in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.85.2549

We have analysed the unusual electronic structure of Sr_2FeMoO_6 combining ab-initio and model Hamiltonian approaches. Our results indicate that there are strong enhancements of the intraatomic exchange strength at the Mo site as well as the antiferromagnetic coupling strength between Fe and Mo sites. We discuss the possibility of a negative effective Coulomb correlation strength (U_{eff}) at the Mo site due to these renormalised interaction strengths.

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