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Title: Orientation of the ground-state orbital in CeCoIn 5 and CeRhIn 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 N4,5 edges. The higher than dipole transitions in NIXS allow determining the orientation of the Γ7 crystal-field ground-state orbital within the unit cell. The crystal-field parameters of the Ce M In5 compounds and related substitution phase diagrams have been investigated in great detail in the past; however, whether the ground-state wave function is the Γ+7(x2 – y2) or Γ7( xy orientation) remained undetermined. We show that the Γ7 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 4f and conduction electrons, suggesting a smaller α2 value than originally anticipated from x-ray absorption. In conclusion, a comparison is made to the results of existing density functional theory plus dynamical mean-field theory calculations.

Authors:
 [1];  [1];  [2];  [3];  [3];  [4];  [5];  [6];  [7];  [8];  [8];  [8];  [1]
  1. Univ. of Cologne, Cologne (Germany); Max Planck Institute for Chemical Physics of Solids, Dresden (Germany)
  2. Univ. of Cologne, Cologne (Germany); Bundesanstalt fur StraBenwesen, Cologne (Germany)
  3. Max Planck Institute for Chemical Physics of Solids, Dresden (Germany)
  4. Heidelberg Univ., Heidelberg (Germany)
  5. Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  6. Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  7. European Synchrotron Radiation Facility, Grenoble Cedex (France); Politecnico di Milano, Milano (Italy)
  8. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1546736
Alternate Identifier(s):
OSTI ID: 1546245
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 99; Journal Issue: 23; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Sundermann, M., Amorese, A., Strigari, F., Leedahl, B., Tjeng, L. H., Haverkort, M. W., Gretarsson, H., Yavaş, H., Sala, M. Moretti, Bauer, E. D., Rosa, P. F. S., Thompson, J. D., and Severing, A. Orientation of the ground-state orbital in CeCoIn5 and CeRhIn5. United States: N. p., 2019. Web. doi:10.1103/physrevb.99.235143.
Sundermann, M., Amorese, A., Strigari, F., Leedahl, B., Tjeng, L. H., Haverkort, M. W., Gretarsson, H., Yavaş, H., Sala, M. Moretti, Bauer, E. D., Rosa, P. F. S., Thompson, J. D., & Severing, A. Orientation of the ground-state orbital in CeCoIn5 and CeRhIn5. United States. doi:10.1103/physrevb.99.235143.
Sundermann, M., Amorese, A., Strigari, F., Leedahl, B., Tjeng, L. H., Haverkort, M. W., Gretarsson, H., Yavaş, H., Sala, M. Moretti, Bauer, E. D., Rosa, P. F. S., Thompson, J. D., and Severing, A. Fri . "Orientation of the ground-state orbital in CeCoIn5 and CeRhIn5". United States. doi:10.1103/physrevb.99.235143.
@article{osti_1546736,
title = {Orientation of the ground-state orbital in CeCoIn5 and CeRhIn5},
author = {Sundermann, M. and Amorese, A. and Strigari, F. and Leedahl, B. and Tjeng, L. H. and Haverkort, M. W. and Gretarsson, H. and Yavaş, H. and Sala, M. Moretti and Bauer, E. D. and Rosa, P. F. S. and Thompson, J. D. and Severing, A.},
abstractNote = {We present core level nonresonant inelastic x-ray scattering (NIXS) data of the heavy-fermion compounds CeCoIn5 and CeRhIn5 measured at the Ce N4,5 edges. The higher than dipole transitions in NIXS allow determining the orientation of the Γ7 crystal-field ground-state orbital within the unit cell. The crystal-field parameters of the Ce M In5 compounds and related substitution phase diagrams have been investigated in great detail in the past; however, whether the ground-state wave function is the Γ+7(x2 – y2) or Γ–7(xy orientation) remained undetermined. We show that the Γ–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 4f and conduction electrons, suggesting a smaller α2 value than originally anticipated from x-ray absorption. In conclusion, a comparison is made to the results of existing density functional theory plus dynamical mean-field theory calculations.},
doi = {10.1103/physrevb.99.235143},
journal = {Physical Review B},
number = 23,
volume = 99,
place = {United States},
year = {2019},
month = {6}
}

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