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Orientation of the ground-state orbital in CeCoIn5 and CeRhIn5

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Sundermann,  M.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Amorese,  A.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Leedahl,  B.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Tjeng,  L. H.
Liu Hao Tjeng, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Gretarsson,  H.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Yavaş,  H.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons204677

Severing,  A.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Sundermann, M., Amorese, A., Strigari, F., Leedahl, B., Tjeng, L. H., Haverkort, M. W., et al. (2019). Orientation of the ground-state orbital in CeCoIn5 and CeRhIn5. Physical Review B, 99(23): 235143, pp. 1-6. doi:10.1103/PhysRevB.99.235143.


Cite as: http://hdl.handle.net/21.11116/0000-0004-8211-5
Abstract
We present core level nonresonant inelastic x-ray scattering (NIXS) data of the heavy-fermion compounds CeCoIn5 and CeRhIn5 measured at the Ce N-4,N-5 edges. The higher than dipole transitions in NIXS allow determining the orientation of the Gamma(7) crystal-field ground-state orbital within the unit cell. The crystal-field parameters of the CeMIn5 compounds and related substitution phase diagrams have been investigated in great detail in the past; however, whether the ground-state wave function is the Gamma(+)(7) ((x2) - y(2)) or Gamma(-)(7) (xy orientation) remained undetermined. We show that the Gamma(-)(7) doublet with lobes along the (110) direction forms the ground state in CeCoIn5 and CeRhIn5. For CeCoIn5, however, we find also some contribution of the first excited state crystal-field state in the ground state due to the stronger hybridization of 4 f and conduction electrons, suggesting a smaller alpha(2) value than originally anticipated from x-ray absorption. A comparison is made to the results of existing density functional theory plus dynamical mean-field theory calculations.