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arxiv: cond-mat/0208575 · v1 · submitted 2002-08-29 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

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

classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords lifetimesapproximationbandstructurecalculationcopperlifetimeself--consistencyagreement
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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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