We present ab initio calculations of the quasiparticle lifetime $\tau$ in cubic transition metals (V, Nb, Ta, Mo, W, Rh, and Ir) performed within the $GW$ approximation. By analyzing the behavior of the lifetime as a function of the exciting energy, we demonstrate that upon moving along the $d$ periods and within the $d$ groups of the Periodic table, the changes in $d$-band width, filling, and shape have a strong effect on quasiparticle lifetimes and result in trends fundamentally distinct from those predicted within the homogeneous electron gas model. We show that $\tau (E-E_F)$ is mainly determined by the density of $d$ states localized in the vicinity of the Fermi level $E_F$ and by the Coulomb interaction screened by $d$ electrons. By making use of this partially screened interaction instead of the fully screened one, we estimate quasiparticle lifetimes in ${\mathrm{Ir}}_3\mathrm{Nb}$ with $\mathrm{L}{1}_2$ structure and ${\mathrm{Rh}}_3\mathrm{Ir}$ with $\mathrm{D}{0}_{22}$ structure.

• Received 14 September 2007

DOI:https://doi.org/10.1103/PhysRevB.76.245125