Тип публикации: статья из журнала

Год издания: 2022

Идентификатор DOI: 10.3390/ma15051856

Ключевые слова: band structure, dft, iron-based superconductors

Аннотация: 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 tПоказать полностьюhe 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. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.

Журнал: Materials

Выпуск журнала: Vol. 15, Is. 5

Номера страниц: 1856

• Begunovich L.V. (Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation)
• Korshunov M.M. (Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok, Krasnoyarsk, 660036, Russian Federation)

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