- Tytuł:
- The Electronic and Magnetic Properties οf $UNiAs_2$ Antiferromagnet
- Autorzy:
-
Werwiński, M.
Szajek, A.
Leśniak, P.
Malinowski, W. - Powiązania:
- https://bibliotekanauki.pl/articles/1537251.pdf
- Data publikacji:
- 2010-08
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
- 71.20.-j
- Opis:
- $UNiAs_2$ 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.
- Źródło:
-
Acta Physica Polonica A; 2010, 118, 2; 413-416
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł