This title appears in the Scientific Report :
2019
Please use the identifier:
http://hdl.handle.net/2128/21850 in citations.
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.97.085141 in citations.
Effective masses, lifetimes, and optical conductivity in Sr 2 RuO 4 and Sr 3 Ru 2 O 7 : Interplay of spin-orbit, crystal-field, and Coulomb tetragonal tensor interactions
Effective masses, lifetimes, and optical conductivity in Sr 2 RuO 4 and Sr 3 Ru 2 O 7 : Interplay of spin-orbit, crystal-field, and Coulomb tetragonal tensor interactions
By using the local-density approximation + dynamical mean-field theory approach, we study the low-energy electronic properties and the optical conductivity of the layered ruthenates Sr2RuO4 and Sr3Ru2O7. We study the interplay of spin-orbit, crystal-field, and Coulomb interactions, including the tet...
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Personal Name(s): | Sarvestani, Esmaeel |
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Zhang, Gouren / Gorelov, Evgeny / Pavarini, Eva (Corresponding author) | |
Contributing Institute: |
Theoretische Nanoelektronik; IAS-3 JARA - HPC; JARA-HPC |
Published in: | Physical Review B Physical review / B, 97 97 (2018 2018) 8 8, S. 085141 085141 |
Imprint: |
Woodbury, NY
Inst.
2018
|
DOI: |
10.1103/PhysRevB.97.085141 |
Document Type: |
Journal Article |
Research Program: |
Multiplet effects in strongly correlated materials Spin-orbital order-disorder transitions in strongly correlated systems Controlling Collective States |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.97.085141 in citations.
By using the local-density approximation + dynamical mean-field theory approach, we study the low-energy electronic properties and the optical conductivity of the layered ruthenates Sr2RuO4 and Sr3Ru2O7. We study the interplay of spin-orbit, crystal-field, and Coulomb interactions, including the tetragonal terms of the Coulomb tensor. We show that the spin-orbit interaction is multifaced; depending on the parameter regime, filling, and temperature, it can either enhance or reduce the effective strength of correlations. We compare the results based on the two common approximations for the screened Coulomb parameters, the constrained random-phase approximation (cRPA) and the constrained local-density approximation. We show that the experimental Drude peak is better reproduced by the cRPA parameters, hinting to relatively small mass renormalizations. We find that including the spin-orbit interaction is, however, important, for a realistic description. We show that Coulomb terms with tetragonal D4h symmetry have a strong effect on the mass-enhancement anisotropy, but they do not affect sizably the total spectral function or the in-plane conductivity. |