Abstract
, in which -Ru is substituted by the more localized -Mn, is studied by x-ray dichroism and spin-resolved density functional theory. We find that Mn impurities do not exhibit the same valence of Ru, but act as acceptors; the extra electron occupies the in-plane orbital instead of the expected out-of-plane . We propose that the interplay, via the ligand oxygen orbitals, is responsible for this crystal-field level inversion and the material’s transition to an antiferromagnetic, possibly orbitally ordered, low-temperature state.
- Received 15 January 2008
DOI:https://doi.org/10.1103/PhysRevLett.101.016404
©2008 American Physical Society