Crystal-field level inversion in lightly Mn-doped Sr3Ru2O7

Journal Article · Tue Jan 15 00:00:00 EST 2008 · Physical Review Letters

OSTI ID:971088

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

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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: Advanced Light Source Division
• DOE Contract Number: DE-AC02-05CH11231
• OSTI ID: 971088
• Report Number(s): LBNL-2272E; PRLTAO; TRN: US1001027
• Journal Information: Physical Review Letters, Vol. 101, Issue 1; Related Information: Journal Publication Date: 3 July 2008; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

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CRYSTAL FIELD
DICHROISM
ELECTRONS
FUNCTIONALS
IMPURITIES
OXYGEN
VALENCE
Sr3Ru2O7
x-ray dichroism
Mn-doping
valence
orbital ordering