Dielectric response and quasiparticle energies in nickel

The utility of traditional many-body perturbation theory in highly correlated d-electron systems is investigated taking full account of the underlying one-particle structure. Starting from a zeroth order Greens function based on a self-consistent local-density calculation, the dielectric matrix of f...

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Veröffentlicht in:Physica scripta 1992-01, Vol.1992, p.270-271
Hauptverfasser: Aryasetiawan, F, Barth, U von
Format: Artikel
Sprache:eng
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Zusammenfassung:The utility of traditional many-body perturbation theory in highly correlated d-electron systems is investigated taking full account of the underlying one-particle structure. Starting from a zeroth order Greens function based on a self-consistent local-density calculation, the dielectric matrix of ferromagnetic nickel is computed within the RPA, thus demonstrating the feasibility of many-body calculations in realistic systems. From the results, the optical absorption, the optical conductivity, and the electron-energy-loss spectra are obtained. A deviation from experiment in our optical absorption spectrum is easily traced back to our local-density starting point. Using instead quasiparticle energies in the zeroth order Green's function results in much better agreement with experiment. The particle-hole interaction is relatively unimportant in optical absorption and the local-field effects (LFE) are small, especially at lower energies and small momentum transfers. From the dielectric matrix, the GW approximation for the electronic self-energy is obtained and from there, the quasi-particle bandstructure which compares well with experiment. On the other hand, no satellite 6 eV below the Fermi energy is obtained and our spin-splitting is too large, thus demonstrating the need for a theory beyond the GW approximation.
ISSN:1402-4896
0031-8949
1402-4896
DOI:10.1088/0031-8949/1992/T45/058