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Ab initio calculation of the lifetime of quasiparticle excitations in transition metals within the framework of the GW approximation

AuthorsNechaev, I. A.; Zhukov, Vladlen P.; Chulkov, Eugene V.
Issue Date2007
PublisherSpringer Nature
CitationPhysics of the Solid State 49: 1811–1819 (2007)
AbstractThis paper reports on the results of ab initio calculations of the lifetimes τ of quasiparticle excitations in cubic d transition metals (V, Nb, Ta, Mo, W, Rh, Ir) within the GW approximation, which represents the self-energy of quasiparticles by the product of the Green’s function and the dynamically screened Coulomb potential. A comparative analysis of the dependences of the lifetime τ(ω) on the excitation energy ω is performed, and the specific features of the dependences τ(ω) in going from metal to metal within a particular group and along the d periods are revealed. It is found that the dependence τ(ω) on the excitation energy differs from the dependence τ ∼ ω−2 obtained within the free-electron model and is primarily determined by the density of d states localized in the vicinity of the Fermi level and by the electron interaction screened by the d electrons.
Publisher version (URL)https://doi.org/10.1134/S1063783407100010
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