Ab initio investigation of uranium monochalcogenides

Shorikov, A. O.; Medvedeva, J. E.; Poteryaev, A. I.; Mazurenko, V. V.; Anisimov, V. I.

doi:10.1134/S0021364010090110

Please use this identifier to cite or link to this item: https://elar.urfu.ru/handle/10995/132586

Title:	Ab initio investigation of uranium monochalcogenides
Authors:	Shorikov, A. O. Medvedeva, J. E. Poteryaev, A. I. Mazurenko, V. V. Anisimov, V. I.
Issue Date:	2010
Publisher:	Pleiades Publishing Ltd
Citation:	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
Abstract:	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.
URI:	http://elar.urfu.ru/handle/10995/132586
Access:	info:eu-repo/semantics/openAccess All Open Access, Green
SCOPUS ID:	77954441468
WOS ID:	000279691400011
PURE ID:	8263386
ISSN:	0021-3640
DOI:	10.1134/S0021364010090110
Sponsorship:	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).
Appears in Collections:	Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC

Files in This Item:

File	Description	Size	Format
2-s2.0-77954441468.pdf		124,69 kB	Adobe PDF	View/Open

Show full item record