Electronic Structure of Sr2FeMoO6
D. D. Sarma, Priya Mahadevan, T. Saha-Dasgupta, Sugata Ray, Ashwani Kumar
Abstract
We have analysed the unusual electronic structure of Sr2FeMoO6 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 (Ueff) at the Mo site due to these renormalised interaction strengths.
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