Crystal-field level inversion in lightly Mn-doped Sr3Ru2O7
M.A. Hossain, Z. Hu, M.W. Haverkort, T. Burnus, C.F. Chang, S. Klein,, J.D. Denlinger, H.-J. Lin, C.T. Chen, R. Mathieu, Y. Kaneko, Y. Tokura, S., Satow, Y. Yoshida, H. Takagi, A. Tanaka, I.S. Elfimov, G.A. Sawatzky, L.H., Tjeng, A. Damascelli
TL;DR
This study reveals that Mn doping in Sr3Ru2O7 causes a crystal-field level inversion due to 3d-4d orbital interplay, leading to a transition to an antiferromagnetic state, challenging previous assumptions about valence states.
Contribution
It uncovers the unexpected crystal-field level inversion caused by Mn impurities and elucidates the role of 3d-4d orbital interactions in the material's magnetic transition.
Findings
Mn acts as a 3+ acceptor instead of 4+
The eg electron occupies the in-plane 3dx2-y2 orbital
The material transitions to an antiferromagnetic state at low temperature
Abstract
Sr3(Ru1-xMnx)2O7, in which 4d-Ru is substituted by the more localized 3d-Mn, is studied by x-ray dichroism and spin-resolved density functional theory. We find that Mn impurities do not exhibit the same 4+ valence of Ru, but act as 3+ acceptors; the extra eg electron occupies the in-plane 3dx2-y2 orbital instead of the expected out-of-plane 3d3z2-r2. We propose that the 3d-4d 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.
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Taxonomy
TopicsAdvanced Condensed Matter Physics · Multiferroics and related materials · Ferroelectric and Piezoelectric Materials