First-principles study of Ca-Fe-Pt-As-type iron-based superconductors

We investigate electronic states and phonon structure of recently discovered iron-based superconductor (CaFeAs)(10)Pt4As8 by first-principles calculations. Though Pt electrons affect the band structure and density of states around the Fermi energy, the Fermi surface produced by Fe d-electrons is similar to those of the usual iron-based superconductors. Phonon density of states formed by Fe-atom vibrations is also consistent with those of usual ones. Thus, we expect that this material has the same superconducting mechanism as other iron-based superconductors. (C) 2012 Elsevier B. V. All rights reserved.