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2010 | 118 | 2 | 413-416
Article title

The Electronic and Magnetic Properties οf UNiAs_2 Antiferromagnet

Content
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EN
Abstracts
EN
UNiAs_2 band structure has been calculated based on two full-potential methods: full potential linearized augmented plane wave implemented in WIEN2k code and full-potential local-orbital minimum-basis in FPLO code. Starting from the local (spin) density approximation (L(S)DA) we verified either the orbital polarization correction or the LSDA+U approach with the Coulomb repulsion energies U of 0-4 eV for the uranium 5f electrons. Calculated magnetic moments confirm antiferromagnetic ground state and collinear magnetic sequence. The best agreement with experimental results has been achieved by applying orbital polarization corrections, the magnetic moment on uranium amounts to 1.76 μ_{B} per U atom.
Keywords
EN
Publisher

Year
Volume
118
Issue
2
Pages
413-416
Physical description
Dates
published
2010-08
Contributors
author
  • Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland
author
  • Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland
author
  • Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland
author
  • Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv118n249kz
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