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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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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 |
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. |
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