Electronic structure and magnetic state of transuranium metals under pressure
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Electronic structure and magnetic state of transuranium metals under pressure
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| Автор |
Lukoyanov, A. V.
Shorikov, A. O. Bystrushkin, V. B. Dyachenko, A. A. Kabirova, L. R. Tsiovkin, Yu. Yu. Povzner, A. A. Dremov, V. V. Korotin, M. A. Anisimov, V. I. |
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| Тематика |
5F ELECTRONS
ACTINIDE IONS BAND-BROADENING INTERMEDIATE COUPLING J COUPLING LDA + U LDA + U METHOD MAGNETIC STATE PURE METALS SPIN-ORBIT COUPLINGS AMERICIUM CRYSTAL STRUCTURE CURIUM ELECTRONIC PROPERTIES ELECTRONIC STRUCTURE NEPTUNIUM PLUTONIUM URANIUM METALS |
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| Описание |
The electronic structures of bcc Np, fcc Pu, Am, and Cm pure metals under pressure have been investigated employing the LDA + U method with spin-orbit coupling (LDA + U + SO). The magnetic state of the actinide ions was analyzed in both LS and j j coupling schemes to reveal the applicability of corresponding coupling bases. It was demonstrated that whereas Pu and Am are well described within the j j coupling scheme, Np and Cm can be described appropriately neither in a {mσ}, nor in a { jm j } basis, due to intermediate coupling scheme realization in these metals that requires some finer treatment. The LDA + U + SO results for the considered transuranium metals reveal band broadening and gradual 5f electron delocalization under pressure. © 2010 IOP Publishing Ltd.
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| Дата |
2024-04-24T12:38:22Z
2024-04-24T12:38:22Z 2010 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) info:eu-repo/semantics/submittedVersion |
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| Идентификатор |
Lukoyanov, A. V., Shorikov, A. O., Bystrushkin, V. B., Dyachenko, A. A., Kabirova, L. R., Tsiovkin, Y. Y., … Anisimov, V. I. (2010). Electronic structure and magnetic state of transuranium metals under pressure. Journal of Physics. Condensed Matter: An Institute of Physics Journal, 22(49), 495501. doi:10.1088/0953-8984/22/49/495501
0953-8984 Final All Open Access, Green https://arxiv.org/pdf/1005.2851 http://elar.urfu.ru/handle/10995/132567 10.1088/0953-8984/22/49/495501 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
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| Формат |
application/pdf
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| Издатель |
IOP Publishing
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| Источник |
Journal of Physics: Condensed Matter
Journal of Physics Condensed Matter |
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