2000/12/15 by U. Lundin, Urban Lundin, I. Sandalov +4 · 1 citation
Physics and Astronomy · #Advanced Chemical Physics Studies #Physics of Superconductivity and Magnetism #Rare-earth and actinide compounds #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.62.16370
published as Phys. Rev. B 62, 16370 (2000-II) · 10 figures
openalex publication_date 2000/12/15 · arxiv created 2001/03/15 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
The mechanism of f-electron delocalization is investigated within the multiorbital Anderson lattice model by means of diagrammatic perturbation theory from the atomic limit. The derived equations couple the intra-atomic transition energies, their spectral weights, and the population numbers of the many-electron states. A self-consistent solution for praseodymium metal shows that the delocalization can be caused by external pressure via a resonant mixing of f and conduction electrons in the vicinity of the the Fermi surface. We also find the following. (1) An increase of mixing leads to a decrease of the physical values of the Hubbard interactions U*; the reduction, however, is small. (2) The initial Hubbard U is split by renormalization into a set of different physical values of Ui,j*. (3) The gain in cohesive energy together with the f-sum rule cause a transfer of spectral weight, which is decisive for the delocalization of f electrons. (4) The correlated fermionic quasiparticles have their bandwidth slightly reduced compared to those obtained using the Kohn-Sham equation.