- Tytuł:
- Electronic Structure and Magnetic Properties of $Ce_5CuPb_3$ Based on Ab Initio Calculations
- Autorzy:
-
Werwiński, M.
Szajek, A.
Leśniak, P.
Malinowski, W.
Stasiak, M. - Powiązania:
- https://bibliotekanauki.pl/articles/1427552.pdf
- Data publikacji:
- 2012-05
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.20.-b
75.25.-j - Opis:
- $Ce_5CuPb_3$ band structure has been calculated based on two ab initio methods: full potential-linearized augmented plane wave implemented in WIEN2k code and full-potential local-orbital minimum-basis in FPLO code. The calculations were performed with and without spin polarization. Starting from the generalized gradient approximation we additionally tested either an orbital polarization correction and the GGA+U approach with the Coulomb repulsion energies U varied from 0 to 6.7 eV within the Ce 4f electron shell. The calculations confirmed possible antiparallel alignment of the magnetic moments of the cerium atoms in the low temperature phase.
- Źródło:
-
Acta Physica Polonica A; 2012, 121, 5-6; 1182-1184
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł