المساق
arXiv 2001-09-26 DOI 10.1103/PhysRevB.68.195111 0 مشاهدة

Doping-dependent study of the periodic Anderson model in three dimensions

Paiva, Thereza · Esirgen, Gokhan · Scalettar, Richard T. · Huscroft, Carey · McMahan, A. K.

الأصل · EN

We study a simple model for f-electron systems, the three-dimensional periodic Anderson model, in which localized f states hybridize with neighboring d states. The f states have a strong on-site repulsion which suppresses the double occupancy and can lead to the formation of a Mott-Hubbard insulator. When the hybridization between the f and d states increases, the effects of these strong electron correlations gradually diminish, giving rise to interesting phenomena on the way. We use the exact quantum Monte-Carlo, approximate diagrammatic fluctuation-exchange approximation, and mean-field Hartree-Fock methods to calculate the local moment, entropy, antiferromagnetic structure factor, singlet-correlator, and internal energy as a function of the f-d hybridization for various dopings. Finally, we discuss the relevance of this work to the volume-collapse phenomenon experimentally observed in f-electron systems.

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