Electronic and magnetic properties of the ferromagnetic superconductor UCoGe
The electronic structure and x-ray magnetic circular dichroism (XMCD) spectra of the ferromagnetic superconductor UCoGe at the U N₄,₅, Ge and Co K and Co L₂,₃ edges were investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital band structure meth...
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| Опубліковано в: : | Физика низких температур |
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| Дата: | 2017 |
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| Формат: | Стаття |
| Мова: | Англійська |
| Опубліковано: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2017
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| Онлайн доступ: | https://nasplib.isofts.kiev.ua/handle/123456789/129354 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Electronic and magnetic properties of the ferromagnetic superconductor UCoGe / V.N. Antonov // Физика низких температур. — 2016. — Т. 43, № 1. — С. 68-80. — Бібліогр.: 64 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862558149071863808 |
|---|---|
| author | Antonov, V.N. |
| author_facet | Antonov, V.N. |
| citation_txt | Electronic and magnetic properties of the ferromagnetic superconductor UCoGe / V.N. Antonov // Физика низких температур. — 2016. — Т. 43, № 1. — С. 68-80. — Бібліогр.: 64 назв. — англ. |
| collection | DSpace DC |
| container_title | Физика низких температур |
| description | The electronic structure and x-ray magnetic circular dichroism (XMCD) spectra of the ferromagnetic superconductor UCoGe at the U N₄,₅, Ge and Co K and Co L₂,₃ edges were investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital band structure method. The electronic structure is obtained with the local spin-density approximation (LSDA), as well as with a generalization of the LSDA+ U method which takes into account the non-diagonal occupation matrix (in spin indexes) of localized electrons. A stable ferromagnetic ground state was found. The uranium total magnetic moment is quite small (about −0.171μB) in the LSDA approximation as a result of almost complete cancellation between the spin magnetic moment of 0.657μB and the opposite orbital magnetic moment of −0.828μB, resulting from strong spin-orbit coupling at the uranium site. Valency of U ion in UCoGe is close to 3+. The ratio orbital and spin magnetic moments M l/M s ranged from 1.163 in the GGA approach up to 2.456 for the LSDA+ U calculations is smaller than the corresponding ratio for the free ion U³⁺ value (2.60), it can indicate a significant delocalization of the 5 f-electron states due to the hybridization of the U 5f electrons with the conduction band and Co 3d electrons. The line shape of the dichroic spectra at the U M₅ and M₄ edges predicted by considering the magneto-optical selection rules as well as the occupation and the energy sequence of the mj-projected partial densities of states. The theoretically calculated XMCD spectra at the U M₄,₅, Ge and Co K and Co L₂,₃ edges are in good agreement with the experimentally measured spectra.
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| first_indexed | 2025-11-25T22:46:37Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-129354 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 0132-6414 |
| language | English |
| last_indexed | 2025-11-25T22:46:37Z |
| publishDate | 2017 |
| publisher | Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| record_format | dspace |
| spelling | Antonov, V.N. 2018-01-19T13:56:33Z 2018-01-19T13:56:33Z 2017 Electronic and magnetic properties of the ferromagnetic superconductor UCoGe / V.N. Antonov // Физика низких температур. — 2016. — Т. 43, № 1. — С. 68-80. — Бібліогр.: 64 назв. — англ. 0132-6414 PACS: 71.28.+d, 75.30.Mb https://nasplib.isofts.kiev.ua/handle/123456789/129354 The electronic structure and x-ray magnetic circular dichroism (XMCD) spectra of the ferromagnetic superconductor UCoGe at the U N₄,₅, Ge and Co K and Co L₂,₃ edges were investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital band structure method. The electronic structure is obtained with the local spin-density approximation (LSDA), as well as with a generalization of the LSDA+ U method which takes into account the non-diagonal occupation matrix (in spin indexes) of localized electrons. A stable ferromagnetic ground state was found. The uranium total magnetic moment is quite small (about −0.171μB) in the LSDA approximation as a result of almost complete cancellation between the spin magnetic moment of 0.657μB and the opposite orbital magnetic moment of −0.828μB, resulting from strong spin-orbit coupling at the uranium site. Valency of U ion in UCoGe is close to 3+. The ratio orbital and spin magnetic moments M l/M s ranged from 1.163 in the GGA approach up to 2.456 for the LSDA+ U calculations is smaller than the corresponding ratio for the free ion U³⁺ value (2.60), it can indicate a significant delocalization of the 5 f-electron states due to the hybridization of the U 5f electrons with the conduction band and Co 3d electrons. The line shape of the dichroic spectra at the U M₅ and M₄ edges predicted by considering the magneto-optical selection rules as well as the occupation and the energy sequence of the mj-projected partial densities of states. The theoretically calculated XMCD spectra at the U M₄,₅, Ge and Co K and Co L₂,₃ edges are in good agreement with the experimentally measured spectra. This work was supported by Science and Technology
 Center in Ukraine STCU, Project No. 6255. en Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України Физика низких температур К 100-летию со дня рождения И.М. Лифшица Electronic and magnetic properties of the ferromagnetic superconductor UCoGe Article published earlier |
| spellingShingle | Electronic and magnetic properties of the ferromagnetic superconductor UCoGe Antonov, V.N. К 100-летию со дня рождения И.М. Лифшица |
| title | Electronic and magnetic properties of the ferromagnetic superconductor UCoGe |
| title_full | Electronic and magnetic properties of the ferromagnetic superconductor UCoGe |
| title_fullStr | Electronic and magnetic properties of the ferromagnetic superconductor UCoGe |
| title_full_unstemmed | Electronic and magnetic properties of the ferromagnetic superconductor UCoGe |
| title_short | Electronic and magnetic properties of the ferromagnetic superconductor UCoGe |
| title_sort | electronic and magnetic properties of the ferromagnetic superconductor ucoge |
| topic | К 100-летию со дня рождения И.М. Лифшица |
| topic_facet | К 100-летию со дня рождения И.М. Лифшица |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/129354 |
| work_keys_str_mv | AT antonovvn electronicandmagneticpropertiesoftheferromagneticsuperconductorucoge |