Vergara, I, Magnaterra, M., Warzanowski, P., Attig, J., Kunkemoeller, S., Khomskii, D., I, Braden, M., Hermanns, M. and Grueninger, M. (2022). Spin-orbit coupling and crystal-field splitting in Ti-doped Ca2RuO4 studied by ellipsometry. Phys. Rev. B, 106 (8). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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Abstract

In Ca2RuO4, the competition of spin-orbit coupling zeta and tetragonal crystal-field splitting Delta(CF) has been discussed controversially for many years. The orbital occupation depends on Delta(CF)/zeta , 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 <= Delta(CF)/zeta less than or similar to 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 Delta(CF) with increasing temperature, as expected based on the reduction of octahedral distortions.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Vergara, IUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Magnaterra, M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Warzanowski, P.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Attig, J.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Kunkemoeller, S.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Khomskii, D., IUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Braden, M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Hermanns, M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Grueninger, M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-676791
DOI: 10.1103/PhysRevB.106.085103
Journal or Publication Title: Phys. Rev. B
Volume: 106
Number: 8
Date: 2022
Publisher: AMER PHYSICAL SOC
Place of Publication: COLLEGE PK
ISSN: 2469-9969
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
MOTT TRANSITIONMultiple languages
Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed MatterMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/67679

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