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

Eugene A GoremychkinHyowon ParkRaymond OsbornStephan RosenkranzJohn-Paul CastellanVictor R FanelliAndrew D ChristiansonMatthew B StoneEric D BauerKenneth J McClellanDarrin D BylerJon M Lawrence
Published in: Science (New York, N.Y.) (2018)
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.
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