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Title: Coherent band excitations in CePd 3: A comparison of neutron scattering and ab initio theory

Abstract

In common with many strongly correlated electron systems, intermediate valence compounds are believed to display a crossover from a high-temperature regime of incoherently fluctuating local moments to a low-temperature regime of coherent hybridized bands. In this work, we show that inelastic neutron scattering measurements of the dynamic magnetic susceptibility of CePd 3 provides a benchmark for ab initio calculations based on dynamical mean field theory. The magnetic response is strongly momentum dependent thanks to the formation of coherent f-electron bands at low temperature, with an amplitude that is strongly enhanced by local particle-hole interactions. Finally, the agreement between experiment and theory shows that we have a robust first-principles understanding of the temperature dependence of f-electron coherence.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5];  [6]; ORCiD logo [6]; ORCiD logo [7]; ORCiD logo [7]; ORCiD logo [7]; ORCiD logo [8]
  1. Joint Institute for Nuclear Research, Dubna (Russia). Frank Laboratory of Neutron Physics
  2. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Univ. of Chicago, IL (United States). Department of Physics
  3. Argonne National Lab. (ANL), Argonne, IL (United States)
  4. Argonne National Lab. (ANL), Argonne, IL (United States); Karlsruhe Institute of Technology (Germany). Institute for Solid State Physics
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Instrument and Source Division
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
  7. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  8. Los Alamos National Lab. (LANL), Los Alamos, NM (United States) ; Univ. of California, Irvine, CA (United States). Dept. of Physics and Astronomy
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; Russian Foundation for Basic Research
OSTI Identifier:
1419941
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Science
Additional Journal Information:
Journal Volume: 359; Journal Issue: 6372; Journal ID: ISSN 0036-8075
Publisher:
AAAS
Country of Publication:
United States
Language:
English
Subject:
73 NUCLEAR PHYSICS AND RADIATION PHYSICS; 36 MATERIALS SCIENCE

Citation Formats

Goremychkin, Eugene A., Park, Hyowon, Osborn, Raymond, Rosenkranz, Stephan, Castellan, John-Paul, Fanelli, Victor R., Christianson, Andrew D., Stone, Matthew B., Bauer, Eric D., McClellan, Kenneth J., Byler, Darrin D., and Lawrence, Jon M. Coherent band excitations in CePd3: A comparison of neutron scattering and ab initio theory. United States: N. p., 2018. Web. doi:10.1126/science.aan0593.
Goremychkin, Eugene A., Park, Hyowon, Osborn, Raymond, Rosenkranz, Stephan, Castellan, John-Paul, Fanelli, Victor R., Christianson, Andrew D., Stone, Matthew B., Bauer, Eric D., McClellan, Kenneth J., Byler, Darrin D., & Lawrence, Jon M. Coherent band excitations in CePd3: A comparison of neutron scattering and ab initio theory. United States. doi:10.1126/science.aan0593.
Goremychkin, Eugene A., Park, Hyowon, Osborn, Raymond, Rosenkranz, Stephan, Castellan, John-Paul, Fanelli, Victor R., Christianson, Andrew D., Stone, Matthew B., Bauer, Eric D., McClellan, Kenneth J., Byler, Darrin D., and Lawrence, Jon M. Fri . "Coherent band excitations in CePd3: A comparison of neutron scattering and ab initio theory". United States. doi:10.1126/science.aan0593.
@article{osti_1419941,
title = {Coherent band excitations in CePd3: A comparison of neutron scattering and ab initio theory},
author = {Goremychkin, Eugene A. and Park, Hyowon and Osborn, Raymond and Rosenkranz, Stephan and Castellan, John-Paul and Fanelli, Victor R. and Christianson, Andrew D. and Stone, Matthew B. and Bauer, Eric D. and McClellan, Kenneth J. and Byler, Darrin D. and Lawrence, Jon M.},
abstractNote = {In common with many strongly correlated electron systems, intermediate valence compounds are believed to display a crossover from a high-temperature regime of incoherently fluctuating local moments to a low-temperature regime of coherent hybridized bands. In this work, we show that inelastic neutron scattering measurements of the dynamic magnetic susceptibility of CePd3 provides a benchmark for ab initio calculations based on dynamical mean field theory. The magnetic response is strongly momentum dependent thanks to the formation of coherent f-electron bands at low temperature, with an amplitude that is strongly enhanced by local particle-hole interactions. Finally, the agreement between experiment and theory shows that we have a robust first-principles understanding of the temperature dependence of f-electron coherence.},
doi = {10.1126/science.aan0593},
journal = {Science},
issn = {0036-8075},
number = 6372,
volume = 359,
place = {United States},
year = {2018},
month = {1}
}

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