Crystal-field level inversion in lightly Mn-doped Sr3Ru2O7.
Sr3(Ru(1-x)Mnx)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 3d(x2-y2) orbital instead of the expected out-of-plane 3d(3z2-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.
Hossain
M A
MA
Department of Physics & Astronomy, University of British Columbia, Vancouver, British Columbia V6T 1Z1, Canada.
Hu
Z
Z
Haverkort
M W
MW
Burnus
T
T
Chang
C F
CF
Klein
S
S
Denlinger
J D
JD
Lin
H-J
HJ
Chen
C T
CT
Mathieu
R
R
Kaneko
Y
Y
Tokura
Y
Y
Satow
S
S
Yoshida
Y
Y
Takagi
H
H
Tanaka
A
A
Elfimov
I S
IS
Sawatzky
G A
GA
Tjeng
L H
LH
Damascelli
A
A