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The Electronic Properties of New Fe-Based Superconductors

Kruchinin S., Antonchenko V., Zolotovsky A.

TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk

2011

Vol. 15, No 2

203-208

We investigate the band structure of Fe-based superconductors using the first-principle method of density-functional theory. We calculated the band structure and the density of states at the Fermi level for ReFeAsO (Re = Sm, Dy, Ho, Er) superconductors. Our calculations indicate that the maximum critical superconducting transition temperature Tc will be observed for compounds with Sm and Er. We predict that Tc=60K for ErFeAsO.