Електронна структура i властивостi новiтнiх шаруватих надпровiдникiв
The electronic energy structures and magnetic properties of layered superconductors RNi2B2C, RFe4Al8, and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a number of features of the electronic structure, which can cause the manifes...
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| Дата: | 2018 |
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| Формат: | Стаття |
| Мова: | English |
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Publishing house "Academperiodika"
2018
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| Онлайн доступ: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018442 |
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| Назва журналу: | Ukrainian Journal of Physics |
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ujp2-article-20184422019-03-29T09:01:11Z Electronic Structure and Properties of Novel Layered Superconductors Електронна структура i властивостi новiтнiх шаруватих надпровiдникiв Grechnev, G. E. Logosha, A. V. Lyogenkaya, A. A. Grechnev, A. G. Fedorchenko, A. V. Electronic structure magnetic superconductors RNi2B2C RFe4Al8 FeSe The electronic energy structures and magnetic properties of layered superconductors RNi2B2C, RFe4Al8, and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a number of features of the electronic structure, which can cause the manifestation of peculiar structural, magnetic and superconducting properties of these systems. It is demonstrated that the Fermi energy EF is located close to the pronounced peaks of the electronic density of states (DOS). The main contribution to DOS at the Fermi level arises from 3d-electrons. The calculations of the pressure-dependent electronic structure and the magnetic susceptibility in the normal state indicate that the novel superconductors are very close to a magnetic instability with dominating spin paramagnetism. It is shown that experimental data on the pressure dependence of the superconducting transition temperature in FeSe correlate qualitatively with the calculated behavior of DOS at EF as a function of the pressure. На основi теорiї функцiонала густини (DFT) проведено систематичне вивчення електронної енергетичної структури i магнiтних властивостей шаруватих надпровiдникiв RNi2B2C, RFe4Al8 i FeSe. Обчислення дозволили виявити ряд специфiчних особливостей електронної структури, що можуть вiдповiдати за незвичайнi структурнi, магнiтнi та надпровiднi властивостi цих систем. Продемонстровано, що енергiя Фермi розташована в околi пiкiв густини електронних станiв (DOS). Головний внесок в DOS на рiвнi Фермi дають 3d-електрони. Обчислення ефектiв тиску на електронну структуру i магнiтну сприйнятливiсть у нормальному станi вказують, що в цих новiтнiх надпровiдниках домiнує спiновий парамагнетизм, i вони близькi до магнiтної нестабiльностi. Показано, що експериментальнi данi по залежностi температури надпровiдного переходу в FeSe вiд тиску якiсно корелюють з розрахованою поведiнкою DOS на рiвнi Фермi пiд тиском. Publishing house "Academperiodika" 2018-10-19 Article Article Peer-reviewed Рецензована стаття application/pdf https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018442 10.15407/ujpe59.03.0284 Ukrainian Journal of Physics; Vol. 59 No. 3 (2014); 284 Український фізичний журнал; Том 59 № 3 (2014); 284 2071-0194 2071-0186 10.15407/ujpe59.03 en https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018442/448 Copyright (c) 2018 Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine |
| institution |
Ukrainian Journal of Physics |
| baseUrl_str |
|
| datestamp_date |
2019-03-29T09:01:11Z |
| collection |
OJS |
| language |
English |
| topic_facet |
Electronic structure magnetic superconductors RNi2B2C RFe4Al8 FeSe |
| format |
Article |
| author |
Grechnev, G. E. Logosha, A. V. Lyogenkaya, A. A. Grechnev, A. G. Fedorchenko, A. V. |
| spellingShingle |
Grechnev, G. E. Logosha, A. V. Lyogenkaya, A. A. Grechnev, A. G. Fedorchenko, A. V. Електронна структура i властивостi новiтнiх шаруватих надпровiдникiв |
| author_facet |
Grechnev, G. E. Logosha, A. V. Lyogenkaya, A. A. Grechnev, A. G. Fedorchenko, A. V. |
| author_sort |
Grechnev, G. E. |
| title |
Електронна структура i властивостi новiтнiх шаруватих надпровiдникiв |
| title_short |
Електронна структура i властивостi новiтнiх шаруватих надпровiдникiв |
| title_full |
Електронна структура i властивостi новiтнiх шаруватих надпровiдникiв |
| title_fullStr |
Електронна структура i властивостi новiтнiх шаруватих надпровiдникiв |
| title_full_unstemmed |
Електронна структура i властивостi новiтнiх шаруватих надпровiдникiв |
| title_sort |
електронна структура i властивостi новiтнiх шаруватих надпровiдникiв |
| title_alt |
Electronic Structure and Properties of Novel Layered Superconductors |
| description |
The electronic energy structures and magnetic properties of layered superconductors RNi2B2C, RFe4Al8, and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a number of features of the electronic structure, which can cause the manifestation of peculiar structural, magnetic and superconducting properties of these systems. It is demonstrated that the Fermi energy EF is located close to the pronounced peaks of the electronic density of states (DOS). The main contribution to DOS at the Fermi level arises from 3d-electrons. The calculations of the pressure-dependent electronic structure and the magnetic susceptibility in the normal state indicate that the novel superconductors are very close to a magnetic instability with dominating spin paramagnetism. It is shown that experimental data on the pressure dependence of the superconducting transition temperature in FeSe correlate qualitatively with the calculated behavior of DOS at EF as a function of the pressure. |
| publisher |
Publishing house "Academperiodika" |
| publishDate |
2018 |
| url |
https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018442 |
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2025-10-02T01:14:45Z |
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2025-10-02T01:14:45Z |
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