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Electronic structures of three superconducting rare-earth iron silicides(Lu;Y;Sc)2Fe3Si5 and non-superconducting Lu2Ru3Si5, adopting a tetragonalcrystal structure (P4/mnc), have been calculated employing the full-potentiallocal-orbital method within the density functional theory. The investigationswere focused particularly on the band structures and Fermi surfaces, existingin four bands and containing rather three-dimensional electronlike and holelikesheets. They support an idea of unconventional multi-band superconductivity inthese ternaries, proposed earlier by other authors for Lu2Fe3Si5, based onheat-capacity, resistivity, electromagnetic and muon spin rotationmeasurements. Finally, a discussion on differences in the electronic structuresbetween the investigated here and other common families of iron-basedsuperconductors is carried out.

Electronic structure and Fermi surface of iron-based superconductors R2Fe3Si5 (R = Lu;Y;Sc) from first principles