Quasiparticle bandstructure effects on the {\it d} hole lifetimes of copper within the GW approximation

Details Quasiparticle bandstructure effects on the {\it d} hole lifetimes of copper within the GW approximation Quasiparticle bandstructure effects on the {\it d} hole lifetimes of copper within the GW approximation

2002-08-29

arxiv.org/abs/cond-mat/0208575v1

Phys. Rev. B 66, 161104(R) (2002)

Physics

Condensed Matter

Strongly Correlated Electrons

Accepted for pubblication on Physical Review B, Rapid Communications

Scientific paper

10.1103/PhysRevB.66.161104

We investigate the lifetime of {\it d} holes in copper within a {\it first--principle} $GW$ approximation. At the $G_0W_0$ level the lifetime of the topmost {\it d} bands are in agreement with the experimental results and are four times smaller than those obtained in the ``on--shell'' calculations commonly used in literature. The theoretical lifetimes and bandstructure, however, worsen when further iterative steps of self-consistency are included in the calculation, pointing to a delicate interplay between self--consistency and the inclusion of vertex corrections. We show that the $G_0W_0$ success in the lifetimes calculation is due to the opening of new ``intraband'' decay channels that disappear at self--consistency.

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