Abstract
We perform first-principle calculations for a newly discovered iron-based superconductor, Sr2ScFePO3, whose blocking layer is a thick perovskite-based oxide (Sr2ScO3) and compare its result with those of other typical iron-based compounds, in order to make a strategy to explore iron-based compounds with higher superconducting transition temperature Tc. Consequently, we find that the thick blocking layer like Sr2ScO3 brings about perfectly cylindrical hole and electron Fermi surfaces. This can give much better nesting condition between disconnected Fermi surfaces compared to other types of iron-based superconductor compounds.
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