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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| Дата: | 2017 |
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| Автор: | |
| Формат: | Стаття |
| Мова: | English |
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Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2017
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| Назва видання: | Физика низких температур |
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| Онлайн доступ: | http://dspace.nbuv.gov.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. |
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irk-123456789-1293542018-01-20T03:03:02Z Electronic and magnetic properties of the ferromagnetic superconductor UCoGe Antonov, V.N. К 100-летию со дня рождения И.М. Лифшица 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. 2017 Article 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 http://dspace.nbuv.gov.ua/handle/123456789/129354 en Физика низких температур Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| topic |
К 100-летию со дня рождения И.М. Лифшица К 100-летию со дня рождения И.М. Лифшица |
| spellingShingle |
К 100-летию со дня рождения И.М. Лифшица К 100-летию со дня рождения И.М. Лифшица Antonov, V.N. Electronic and magnetic properties of the ferromagnetic superconductor UCoGe 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. |
| format |
Article |
| author |
Antonov, V.N. |
| author_facet |
Antonov, V.N. |
| author_sort |
Antonov, V.N. |
| title |
Electronic and magnetic properties of the ferromagnetic superconductor UCoGe |
| title_short |
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_sort |
electronic and magnetic properties of the ferromagnetic superconductor ucoge |
| publisher |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| publishDate |
2017 |
| topic_facet |
К 100-летию со дня рождения И.М. Лифшица |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/129354 |
| 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. |
| series |
Физика низких температур |
| work_keys_str_mv |
AT antonovvn electronicandmagneticpropertiesoftheferromagneticsuperconductorucoge |
| first_indexed |
2023-10-18T20:57:33Z |
| last_indexed |
2023-10-18T20:57:33Z |
| _version_ |
1796151557826281472 |