Ab initio investigation of uranium monochalcogenides

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

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)486-489
Number of pages4
JournalJETP Letters
Volume91
Issue number9
DOIs
Publication statusPublished - 2010
Externally publishedYes

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