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We study the tight-binding dispersion of the recently discoveredsuperconductor K2Cr3As3, obtained from Wannier projection of Density FunctionalTheory (DFT) results. In order to establish quantitatively the actual degree ofquasi-one dimensionality of this compound, we analyze the electronic bandstructure for two reduced sets of hopping parameters: one restricted to theCr-As tubes and another one retaining a minimal number of in-plane hoppings.The corresponding total and local density of states of the compound are alsocomputed with the aim of assessing the tight-binding results with respect tothe DFT ones. We find a quite good agreement with the DFT results for the moreextended set of hopping parameters, especially for what concerns the orbitalsthat dominate at the Fermi level. Accordingly, we conclude that one cannotavoid taking into account in-plane hoppings up to the next-nearest-neighborscells even only to describe correctly the Fermi surface cuts and thepopulations along the kz direction. Such a choice of a minimal number ofhopping parameters directly reflects in the possibility of correctly describingcorrelations and magnetic interactions.

Optimizing the tight-binding parametrization of the quasi-one-dimensional superconductor K2Cr3As3