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We present an ab-initio study of Ru substitution in two different compounds,BaFe2As2 and LaFeAsO, pure and F-doped. Despite the many similarities amongthem, Ru substitution has very different effects on these compounds. By meansof an unfolding technique, which allows us to trace back the electronic statesinto the primitive cell of the pure compounds, we are able to disentangle theeffects brought by the local structural deformations and by the impuritypotential to the states at the Fermi level. Our results are compared withavailable experiments and show: i) satisfying agreement of the calculatedelectronic properties with experiments, confirming the presence of a magneticorder on a short range scale; ii) Fermi surfaces strongly dependent on theinternal structural parameters, more than on the impurity potential. Theseresults enter a widely discussed field in the literature and provide a betterunderstanding of the role of Ru in iron pnictides: although isovalent to Fe,the Ru-Fe substitution leads to changes in the band structure at the Fermilevel mainly related to local structural modifications.

Ru-doping on iron based pnictides: the "unfolded" dominant role of structural effects for superconductivity