Title

Ab Initio Investigation of Uranium Monochalcogenides

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.

Department(s)

Physics

Sponsor(s)

Council, President, Russian Federation for Support of Young Scientists & Leading Scientific Schools
Ministry of Education and Science of the Russian Federation
Netherlands Organization for Scientific Research
Federal Agency for Science Innovation (Russia)
Russian Foundation for Basic Research
Soviet Union. Russian Academy of Sciences. Ural Division and Siberian Branch

Keywords and Phrases

Uranium Monochalcogendies

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2010 Springer Verlag, All rights reserved.


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