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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2010, Volume 91, Issue 9, Pages 532–535
(Mi jetpl715)
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This article is cited in 6 scientific papers (total in 6 papers)
CONDENSED MATTER
First-principles investigation of uranium monochalcogenides
A. O. Shorikova, J. E. Medvedevab, A. I. Poteryaeva, V. V. Mazurenkoc, V. I. Anisimova a Institute of Metal Physics, Ural Division of the Russian Academy of Sciences
b Department of Physics, Missouri S&T, Rolla, 65409 Missouri, USA
c Theoretical Physics and Applied Mathematic Department, Urals State Technical University
Abstract:
We present first-principles investigation of the electronic structure and magnetic properties of uranium monochalcogenides: US, USe, UTe. The calculations were performed by using 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 5$f^3$ was found for all uranium compounds under investigation.
Received: 08.04.2010
Citation:
A. O. Shorikov, J. E. Medvedeva, A. I. Poteryaev, V. V. Mazurenko, V. I. Anisimov, “First-principles investigation of uranium monochalcogenides”, Pis'ma v Zh. Èksper. Teoret. Fiz., 91:9 (2010), 532–535; JETP Letters, 91:9 (2010), 486–489
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https://www.mathnet.ru/eng/jetpl715 https://www.mathnet.ru/eng/jetpl/v91/i9/p532
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Abstract page: | 215 | Full-text PDF : | 66 | References: | 37 |
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