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Band Structure of Organic-Ion-Intercalated (EMIM)(x)FeSe Superconductor

The band structure and the Fermi surface of the recently discovered superconductor (EMIM) [Formula: see text] 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 t...

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Detalles Bibliográficos
Autores principales: Begunovich, Lyudmila V., Korshunov, Maxim M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8911679/
https://www.ncbi.nlm.nih.gov/pubmed/35269087
http://dx.doi.org/10.3390/ma15051856
Descripción
Sumario:The band structure and the Fermi surface of the recently discovered superconductor (EMIM) [Formula: see text] 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) [Formula: see text] FeSe.