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Spin-orbit coupling and crystal-field splitting in Ti-doped Ca2RuO4 studied by ellipsometry
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- Vergara, I. (author)
- Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany.
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- Magnaterra, M. (author)
- Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany.
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- Warzanowski, P. (author)
- Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany.
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- Khomskii, D. I. (author)
- Braden, M. (author)
- Grüninger, M. (author)
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- Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany Univ Cologne, Inst Theoret Phys, D-50937 Cologne, Germany. (creator_code:org_t)
- American Physical Society (APS), 2022
- 2022
- English.
- In: Physical Review B. - : American Physical Society (APS). - 2469-9950 .- 2469-9969. ; 106:8
- Journal article (peer-reviewed)
Abstract
Subject headings
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- In Ca2RuO4, the competition of spin-orbit coupling ζ and tetragonal crystal-field splitting ΔCF has been discussed controversially for many years. The orbital occupation depends on ΔCF/ζ, which allows us to address this ratio via the optical spectral weights of the lowest intersite Mott-Hubbard excitations. We study the optical conductivity of Ca2Ru0.99Ti0.01O4 in the range of 0.75-5 eV by ellipsometry, using the large single crystals that can be grown for small Ti concentrations. Based on a local multiplet calculation, our analysis results in 2.4≤ΔCF/ζ≲4 at 15 K. The dominant crystal field yields a ground state close to xy orbital order but spin-orbit coupling is essential for a quantitative description of the properties. Furthermore, we observe a pronounced decrease of ΔCF with increasing temperature, as expected based on the reduction of octahedral distortions.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
Keyword
- Calcium compounds
- Ellipsometry
- Ground state
- Optical conductivity
- Single crystals
- Titanium compounds
- Coupling fields
- Crystal field splittings
- Crystal fields
- Hubbard
- Optical spectral weight
- Orbital occupation
- Orbital order
- Spin-orbit couplings
- Tetragonal crystals
- Ti doped
- Ruthenium compounds
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- art (subject category)
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- Vergara, I.
- Magnaterra, M.
- Warzanowski, P.
- Attig, J.
- Kunkemöller, S.
- Khomskii, D. I.
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- Braden, M.
- Hermanns, Maria, ...
- Grüninger, M.
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