Crystal-Field Level Inversion in Lightly Mn-Doped Sr3Ru2O7

Hossain, M. A.; Hu, Z.; Haverkort, M. W.; Burnus, T.; Chang, C. F.; Klein, S.; Denlinger, J. D.; Lin, H.-J.; Chen, C. T.; Mathieu, R.; Kaneko, Y.; Tokura, Y.; Satow, S.; Yoshida, Y.; Takagi, H.; Tanaka, A.; Elfimov, I. S.; Sawatzky, G. A.; Tjeng, L. H.; Damascelli, A.

doi:10.1103/PhysRevLett.101.016404

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Crystal-Field Level Inversion in Lightly Mn-Doped Sr₃Ru₂O₇

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Citation

Hossain, M. A., Hu, Z., Haverkort, M. W., Burnus, T., Chang, C. F., Klein, S., et al. (2008). Crystal-Field Level Inversion in Lightly Mn-Doped Sr₃Ru₂O₇. Physical Review Letters, 101(1): 016404, pp. 1-4. doi:10.1103/PhysRevLett.101.016404.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-107B-4

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.