Band Structure of Organic-Ion-Intercalated (EMIM)xFeSe Superconductor

Autor:	Maxim Korshunov, Lyudmila Vitalevna Begunovich
Rok vydání:	2022
Předmět:	band structure DFT Iron-based superconductors Superconductivity (cond-mat.supr-con) Condensed Matter - Materials Science Condensed Matter - Superconductivity Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences General Materials Science
Zdroj:	Materials; Volume 15; Issue 5; Pages: 1856
ISSN:	1996-1944
DOI:	10.3390/ma15051856
Popis:	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. 10 pages, 8 figures, published version
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ecf00d317cb4bc954c07b6a5bedbd9ec https://doi.org/10.3390/ma15051856 Zobrazit plný text záznamu Plný text ve formátu PDF