Coherent band excitations in CePd3: A comparison of neutron scattering and ab initio theory

Eugene A Goremychkin; Hyowon Park; Raymond Osborn; Stephan Rosenkranz; John-Paul Castellan; Victor R Fanelli; Andrew D Christianson; Matthew B Stone; Eric D Bauer; Kenneth J McClellan; Darrin D Byler; Jon M Lawrence

doi:10.1126/science.aan0593

Coherent band excitations in CePd₃: A comparison of neutron scattering and ab initio theory

Science. 2018 Jan 12;359(6372):186-191. doi: 10.1126/science.aan0593.

Authors

Eugene A Goremychkin¹, Hyowon Park^{2

3}, Raymond Osborn⁴, Stephan Rosenkranz², John-Paul Castellan^{2

5}, Victor R Fanelli⁶, Andrew D Christianson⁷, Matthew B Stone⁷, Eric D Bauer⁸, Kenneth J McClellan⁸, Darrin D Byler⁸, Jon M Lawrence^{8

9}

Affiliations

¹ Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna, Moscow Region, 141980, Russia.
² Materials Science Division, Argonne National Laboratory, Argonne, IL 60439-4845, USA.
³ Department of Physics, University of Illinois at Chicago, Chicago, IL 60607, USA.
⁴ Materials Science Division, Argonne National Laboratory, Argonne, IL 60439-4845, USA. rosborn@anl.gov.
⁵ Institute for Solid State Physics, Karlsruhe Institute of Technology, D-76021 Karlsruhe, Germany.
⁶ Instrument and Source Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA.
⁷ Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA.
⁸ Los Alamos National Laboratory, Los Alamos, NM 87545, USA.
⁹ Department of Physics and Astronomy, University of California, Irvine, CA 92697, USA.

PMID: 29326267
DOI: 10.1126/science.aan0593

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. 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. The agreement between experiment and theory shows that we have a robust first-principles understanding of the temperature dependence of f-electron coherence.

Publication types

Research Support, U.S. Gov't, Non-P.H.S.
Research Support, Non-U.S. Gov't