Quasiparticle band-structure effects on the <i>d</i> hole lifetimes of copper within the <i>GW</i> approximation

Physical Review B 66, 161104 - 4 (2002)

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

A. Marini, R. Del Sole, A. Rubio, G. Onida

We investigate the lifetime of d holes in copper within a first-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.

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http://dx.doi.org/10.1103/PhysRevB.66.161104

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