We show that the results of photoemission and inverse photoemission experiments on bulk copper can be quantitatively described within band-structure theory, with no evidence of effects beyond the single-quasiparticle approximation. The well-known discrepancies between the experimental band structure and the Kohn-Sham eigenvalues of density functional theory are almost completely corrected by self-energy effects. Exchange-correlation contributions to the self-energy arising from 3s and 3p core levels are shown to be crucial.
Quasiparticle electronic structure of copper in the GW approximation / A. Marini, G. Onida, R. Del Sole. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 88:1(2002), pp. 016403.1-016403.4.
Quasiparticle electronic structure of copper in the GW approximation
G. Onida;
2002
Abstract
We show that the results of photoemission and inverse photoemission experiments on bulk copper can be quantitatively described within band-structure theory, with no evidence of effects beyond the single-quasiparticle approximation. The well-known discrepancies between the experimental band structure and the Kohn-Sham eigenvalues of density functional theory are almost completely corrected by self-energy effects. Exchange-correlation contributions to the self-energy arising from 3s and 3p core levels are shown to be crucial.Pubblicazioni consigliate
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