Electronic structure of Sr2FeMoO6
We have analyzed the unusual electronic structure of Sr2FeMoO6 combining ab initio and model Hamiltonian approaches. Our results indicate that there are strong enhancements of the intra-atomic 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 renormalized interaction strengths.
Sarma
DD
Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India.
Mahadevan
P
Saha-Dasgupta
T
Ray
S
Kumar
A