Band Structure of Organic-Ion-Intercalated (EMIM) x FeSe Superconductor.
- Resource Type
- Article
- Authors
- Begunovich, Lyudmila V.; Korshunov, Maxim M.
- Source
- Materials (1996-1944). Mar2022, Vol. 15 Issue 5, p1856. 1p.
- Subject
- *SUPERCONDUCTORS
*IRON-based superconductors
*FERMI surfaces
*DENSITY functional theory
*FERMI level
*BAND gaps
*CHEMICAL potential
- Language
- ISSN
- 1996-1944
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. [ABSTRACT FROM AUTHOR]