Band structure of organic-ion-intercalated (EMIM)${}_x$FeSe superconductor

Abstract

The band structure and the Fermi surface of the recently discovered superconductor (EMIM)${}_x$FeSe are studied within the density functional theory in the generalized gradient approximation. We show that the bands near the Fermi level are formed primarily by Fe-$d$ orbitals. Although there is no direct contribution of EMIM orbitals to the near-Fermi level states, the presence of organic cations leads to a shift of the chemical potential. It results in the appearance of small electron pockets in the quasi-two-dimensional Fermi surface of (EMIM)${}_x$FeSe.

arXiv comment10 pages, 8 figures, published version

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