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arxiv: 1612.00317 · v1 · pith:NCIVGWHZnew · submitted 2016-12-01 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

A "hidden" transition in heavy fermion compound CeB₆ at Tsim 20 K?

classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords temperaturecompounddensityelectronicfermionheavyhiddentheory
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The temperature-dependent electronic structures of heavy fermion compound CeB$_{6}$ are investigated thoroughly by means of the combination of density functional theory and single-site dynamical mean-field theory. The band structure, density of states, and 4$f$ valence state fluctuation of CeB$_{6}$ are calculated in a broad temperature range of 10 $\sim$ 120 K. Overall, the 4$f$ electrons remain incoherent, approximately irrespective of the temperature. However, we find that these observables exhibit some unusual features near 20 K. In addition, the evolution of 4$f$ orbital occupancy, total angular momentum, and total energy with respect to temperature shows apparent singularity around 20 K. We believe that these tantalizing characteristics are probably related to a "hidden" electronic transition.

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