by Sundermann, M., Amorese, A., Strigari, F., Leedahl, B. and Tjeng, L. H., Haverkort, M. W., Gretarsson, H., Yavas, H. and Sala, M. Moretti, Bauer, E. D., Rosa, P. F. S., Thompson, J. D. and Severing, A.
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.
Reference:
Orientation of the ground-state orbital in CeCoIn5 and CeRhIn5 (Sundermann, M., Amorese, A., Strigari, F., Leedahl, B. and Tjeng, L. H., Haverkort, M. W., Gretarsson, H., Yavas, H. and Sala, M. Moretti, Bauer, E. D., Rosa, P. F. S., Thompson, J. D. and Severing, A.), In PHYSICAL REVIEW B, AMER PHYSICAL SOC, volume 99, 2019.
Bibtex Entry:
@article{ ISI:000473015100001,
Author = {Sundermann, M. and Amorese, A. and Strigari, F. and Leedahl, B. and
   Tjeng, L. H. and Haverkort, M. W. and Gretarsson, H. and Yavas, H. and
   Sala, M. Moretti and Bauer, E. D. and Rosa, P. F. S. and Thompson, J. D.
   and Severing, A.},
Title = {{Orientation of the ground-state orbital in CeCoIn5 and CeRhIn5}},
Journal = {{PHYSICAL REVIEW B}},
Year = {{2019}},
Volume = {{99}},
Number = {{23}},
Month = {{JUN 21}},
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.}},
Publisher = {{AMER PHYSICAL SOC}},
Address = {{ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}},
Type = {{Article}},
Language = {{English}},
Affiliation = {{Severing, A (Corresponding Author), Univ Cologne, Inst Phys 2, Zulpicher Str 77, D-50937 Cologne, Germany.
   Severing, A (Corresponding Author), Max Planck Inst Chem Phys Solids, Nothnitzer Str 40, D-01187 Dresden, Germany.
   Sundermann, M.; Amorese, A.; Strigari, F.; Severing, A., Univ Cologne, Inst Phys 2, Zulpicher Str 77, D-50937 Cologne, Germany.
   Sundermann, M.; Amorese, A.; Leedahl, B.; Tjeng, L. H.; Gretarsson, H.; Yavas, H.; Severing, A., Max Planck Inst Chem Phys Solids, Nothnitzer Str 40, D-01187 Dresden, Germany.
   Haverkort, M. W., Heidelberg Univ, Inst Theoret Phys, Philosophenweg 19, D-69120 Heidelberg, Germany.
   Gretarsson, H.; Yavas, H., DESY, PETRA 3, Notkestr 85, D-22607 Hamburg, Germany.
   Sala, M. Moretti, European Synchrotron Radiat Facil, 71 Ave Martyrs,CS40220, F-38043 Grenoble 9, France.
   Bauer, E. D.; Rosa, P. F. S.; Thompson, J. D., Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
   Strigari, F., Bundesanstalt Strassenwesen, Cologne, Germany.
   Yavas, H., SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
   Sala, M. Moretti, Politecn Milan, Dipartimento Fis, Piazza Leonardo da Vinci 32, I-20133 Milan, Italy.}},
DOI = {{10.1103/PhysRevB.99.235143}},
Article-Number = {{235143}},
ISSN = {{2469-9950}},
EISSN = {{2469-9969}},
Keywords-Plus = {{HEAVY; TRANSITION}},
Research-Areas = {{Materials Science; Physics}},
Web-of-Science-Categories  = {{Materials Science, Multidisciplinary; Physics, Applied; Physics,
   Condensed Matter}},
Author-Email = {{severing@ph2.uni-koeln.de}},
ResearcherID-Numbers = {{Moretti, Marco/AAF-9255-2019
   Amorese, Andrea/AAA-7510-2020}},
ORCID-Numbers = {{Moretti, Marco/0000-0002-9744-9976
   }},
Funding-Acknowledgement = {{U.S. Department of Energy, Office of Basic Energy Sciences, Division of
   Materials Science and EngineeringUnited States Department of Energy
   (DOE); Deutsche ForschungsgemeinschaftGerman Research Foundation (DFG)
   {[}SE 1441-4-1]}},
Funding-Text = {{We thank Peter Thalmeier for fruitful discussions. Parts of this
   research were carried out at PETRA III/DESY, a member of the Helmholtz
   Association HGF, and we would like to thank Christoph Becker, Manuel
   Harder, and Frank-Uwe Dill for skillful technical assistance. Work at
   Los Alamos was performed under the auspices of the U.S. Department of
   Energy, Office of Basic Energy Sciences, Division of Materials Science
   and Engineering. A.A., A.S., and M.S. gratefully acknowledge the
   financial support of the Deutsche Forschungsgemeinschaft under project
   SE 1441-4-1.}},
Number-of-Cited-References = {{41}},
Times-Cited = {{2}},
Usage-Count-Last-180-days = {{1}},
Usage-Count-Since-2013 = {{24}},
Journal-ISO = {{Phys. Rev. B}},
Doc-Delivery-Number = {{IF3WZ}},
Unique-ID = {{ISI:000473015100001}},
OA = {{Bronze, Green Published}},
DA = {{2020-12-22}},
}

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