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Screening of magnetic moments in PuAm alloy : LDA+DMFT study

Strongly Correlated Electrons 2008-09-26 v1 Materials Science

Abstract

The puzzling absence of Pu magnetic moments in a PuAm environment is explored using the self-consistent Dynamical Mean Field Theory (DMFT) calculations in combination with the Local Density Approximation. We argue that delta-Pu -Am alloys provide an ideal test bed for investigating the screening of moments from the single impurity limit to the dense limit. Several important effects can be studied: volume expansion, shift of the bare Pu on-site f energy level, and the reduction of the hybridization cloud resulting from the collective character of the Kondo effect in the Anderson lattice. These effects compensate each other and result in a coherence scale, which is independent of alloy composition, and is around 800K. We emphasize the role of the DMFT self-consistency condition, and multiplet splittings in Pu and Am atoms, in order to capture the correct value of the coherence scale in the alloy.

Keywords

Cite

@article{arxiv.0806.0313,
  title  = {Screening of magnetic moments in PuAm alloy : LDA+DMFT study},
  author = {J. H. Shim and K. Haule and S. Savrasov and G. Kotliar},
  journal= {arXiv preprint arXiv:0806.0313},
  year   = {2008}
}

Comments

4.4 pages, 4 figures