Ab initio investigation of uranium monochalcogenides
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Ab initio investigation of uranium monochalcogenides
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| Автор |
Shorikov, A. O.
Medvedeva, J. E. Poteryaev, A. I. Mazurenko, V. V. Anisimov, V. I. |
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| Описание |
We present ab initio investigation of the electronic structure and magnetic properties of uranium monochal-cogenides: US, USe, UTe. The calculations were performed by using the recently developed LDA+U+SO method in which both Coulomb and spin-orbit interactions have been taken into account in rotationally invariant form. We discuss the problem of choice of the Coulomb interaction value. The calculated [111] easy axes agree with those experimentally observed. The electronic configuration 5f3 was found for all uranium compounds under investigation. © 2010 Pleiades Publishing, Ltd.
09 M 23 2008; Russian Foundation for Basic Research, РФФИ: 09 02 00431a, 10 02 00046 a, 10 02 00546 a; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, NWO: 047.016.005; Ministry of Education and Science of the Russian Federation, Minobrnauka: 2.1.1/779; Federal Agency for Science and Innovation, FASI: 02.740.11.0217; Council on grants of the President of the Russian Federation: MK 1162.2009.2 We are grateful to M.A. Korotin for fruitful discus sion. This work was supported by the Russian Founda tion for Basic Research (project nos. 09 02 00431a, 10 02 00046 a, and 10 02 00546 a), by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. MK 1162.2009.2), by the Russian Federal Agency for Science and Innovation (project no. 02.740.11.0217), by the Ministry of Education and Science of the Russian Federation (project no. 2.1.1/779, program “Development of Scientific potential of Universities”), by de Nederlandse Organ isatie voor Wetenschappelijk Onderzoek (the Nether lands Organization for Scientific Research, NWO, grant no. 047.016.005), and jointly by the Ural Divi sion and Siberian Branch, Russian Academy of Sci ences (project no. 09 M 23 2008). |
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| Дата |
2024-04-24T12:38:25Z
2024-04-24T12:38:25Z 2010 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) info:eu-repo/semantics/submittedVersion |
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| Идентификатор |
Shorikov, A. O., Medvedeva, J. E., Poteryaev, A. I., Mazurenko, V. V., & Anisimov, V. I. (2010). Ab initio investigation of uranium monochalcogenides. JETP Letters, 91(9), 486–489. doi:10.1134/s0021364010090110
0021-3640 Final All Open Access, Green https://arxiv.org/pdf/0912.4969 http://elar.urfu.ru/handle/10995/132586 10.1134/S0021364010090110 |
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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 |
Pleiades Publishing Ltd
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| Источник |
JETP Letters
JETP Letters |
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