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Quasiparticle band-structure effects on the d hole lifetimes of copper within the GW approximation

AuthorsMarini, Andrea; Sole, R. D.; Rubio, Angel ; Onida, Giovanni
Issue Date2002
PublisherAmerican Physical Society
CitationPhysical Review B 66: 161104(R) (2002)
AbstractWe investigate the lifetime of d holes in copper within afirst-principles GW approximation. At the G0W0 level the lifetime of the topmost 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 band structure, 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 G0W0 success in the lifetimes calculation is due to the opening of >intraband> decay channels that disappear at self-consistency.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevB.66.161104
Identifiersdoi: 10.1103/PhysRevB.66.161104
issn: 1098-0121
e-issn: 1550-235X
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