Electronic Structure of
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- 18 September 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 85 (12) , 2549-2552
- https://doi.org/10.1103/physrevlett.85.2549
Abstract
We have analyzed the unusual electronic structure of 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 ( ) at the Mo site due to these renormalized interaction strengths.
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