TY  - JOUR
AU  - Zhang, Guoren
AU  - Pavarini, Eva
TI  - Optical conductivity, Fermi surface, and spin-orbit coupling effects in Sr 2 RhO 4
JO  - Physical review / B
VL  - 99
IS  - 12
SN  - 2469-9950
CY  - Woodbury, NY
PB  - Inst.
M1  - FZJ-2020-03817
SP  - 125102
PY  - 2019
AB  - By using the local-density approximation + dynamical mean-field theory approach, we study the low-energy electronic properties of $Sr_2RhO_4$ in a realistic setting, and compare to $Sr_2RuO_4$. We investigate the interplay of spin-orbit coupling, crystal field, and Coulomb interaction, including the tetragonal terms of the Coulomb tensor. We find that (i) differently than in $Sr_2RuO_4$, the zero-frequency effective crystal-field “enhancement” due to Coulomb repulsion, ΔɛCF(ω=0), is small and, depending on the parameters, even negative. (ii) In addition, the effects of (realistic) anisotropic Coulomb terms are weak. (iii) Instead, the effective zero-frequency enhancement of the spin-orbit interaction doubles the value of the corresponding local-density approximation couplings. This explains the experimental Fermi surface and supports a previous proposal based on static mean-field calculations. We find that the sign of the Coulomb-induced spin-orbit anisotropy is influenced by the octahedral rotation. Based on these conclusions, we examine recent optical conductivity experiments. (iv) We show that the spin-orbit interaction is key for understanding them; differently than in $Sr_2RuO_4$, the $t_{2g}$ intraorbital contributions are small; thus, the single-band picture does not apply.
LB  - PUB:(DE-HGF)16
DO  - DOI:10.1103/PhysRevB.99.125102
UR  - https://juser.fz-juelich.de/record/885420
ER  -