论文标题

有机离子嵌入式(EMIM)$ _ x $ FESE超导体的带结构

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

论文作者

Begunovich, L. V., Korshunov, M. M.

论文摘要

在广义梯度近似中,在密度功能理论中研究了最近发现的超导体(EMIM)$ _ x $ FESE的带状结构和费米表面。我们表明,费米级别附近的乐队主要由fe-$ d $轨道组成。尽管EMIM轨道对近纤维水平状态没有直接贡献,但有机阳离子的存在会导致化学势的转移。它导致在(emim)$ _ x $ fese的准二维费米表面中出现小电子口袋。

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.

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