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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: Ab Initio Investigation of Uranium Monochalcogenides / A. O. Shorikov, J. E. Medvedeva, A. I. Poteryaev et al. — DOI 10.3390/sym13112007 // JETP Letters. — 2010. — Vol. 91. — Iss. 9. — P. 486-489.
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.
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 77954441468
ISSN: 0021-3640
DOI: 10.3390/sym13112007
metadata.dc.description.sponsorship: We are grateful to M.A. Korotin for fruitful discussion. This work was supported by the Russian Foundation 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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