Magnetic and thermodynamic properties of the 3-D periodic anderson lattice hamiltonian

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Tight-binding models capture many of the qualitative features of interaction-induced effects in solids. For example, the simplest such model, the single-band Hubbard Hamiltonian, describes the Mott insulating phase which occurs in correlated systems, despite the fact that the one electron band is nominally only half-filled, as well as the tendency towards magnetic order. Both phenomena occur in the transition metal oxides. The Periodic Anderson Model (PAM) is a step towards incorporating more complex orbital structure. It contains a pair of orbitals on each site--a delocalized conduction band and a set of highly correlated, localized states. The PAM successfully describes conditions ... continued below

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405 Kilobytes pages

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Huscrot, C.; McMahan, A. K.; Pollock, E. I & Scalettar, R. T. September 10, 1998.

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Tight-binding models capture many of the qualitative features of interaction-induced effects in solids. For example, the simplest such model, the single-band Hubbard Hamiltonian, describes the Mott insulating phase which occurs in correlated systems, despite the fact that the one electron band is nominally only half-filled, as well as the tendency towards magnetic order. Both phenomena occur in the transition metal oxides. The Periodic Anderson Model (PAM) is a step towards incorporating more complex orbital structure. It contains a pair of orbitals on each site--a delocalized conduction band and a set of highly correlated, localized states. The PAM successfully describes conditions for transitions between antiferromagnetic order of the local moments and phases in which these moments are quenched into singlets paired with conduction electrons. These phenomena are central to heavy fermion systems. The pressure-induced volume collapse in Ce has also been attributed to Kondo-like quenching of the local f moments in this metal, as has been discussed in the context of the impurity Anderson Model. The authors describe Quantum Monte Carlo (QMC) calculations of the magnetic and thermodynamic properties of the PAM in three dimensions. Previous QMC studies have been reported in one and two dimensions. A focus of our attention will be on the density of states and the specific heat. The organization of this paper is as follows. They first introduce the PAM and outline some of its properties. Next, a brief presentation of the Quantum Monte Carlo, Maximum Entropy, and Hartree-Fock methods is given. They then show the equilibrium magnetic properties of the PAM, including the spin correlations between conduction and localized orbitals, and antiferromagnetic correlations in the localized band, before turning to the thermodynamics and the density of states. A concluding section describes connections of this work to the problem of the rare earth volume collapse transitions.

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405 Kilobytes pages

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  • International Conference on Correlation Effects and Materials Properties, Crete (GR), 06/28/1998--07/03/1998

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  • Report No.: UCRL-JC-131838
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 2782
  • Archival Resource Key: ark:/67531/metadc672991

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  • September 10, 1998

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  • June 29, 2015, 9:42 p.m.

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  • May 6, 2016, 1:37 p.m.

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Huscrot, C.; McMahan, A. K.; Pollock, E. I & Scalettar, R. T. Magnetic and thermodynamic properties of the 3-D periodic anderson lattice hamiltonian, article, September 10, 1998; California. (digital.library.unt.edu/ark:/67531/metadc672991/: accessed September 21, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.