- Tytuł:
- Electronic and Magnetic Effects on Cu Doping $Ti_2NiAl$ Heusler Alloy: A First-Principles Study
- Autorzy:
-
Wei, X.
Chu, Y.
Sun, X.
E, Y.
Song, T.
Guo, P. - Powiązania:
- https://bibliotekanauki.pl/articles/1205451.pdf
- Data publikacji:
- 2014-08
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.20.Gj
61.72.S-
81.30.-t
75.50.Cc - Opis:
- We investigate the effect of the electronic and magnetic properties on nonmagnetic Cu-3d atoms doping the Heusler alloy $Ti_2Ni_{1-x}Cu_xAl$ $(0 ≤ x ≤ 1)$ using first-principles calculations. The optimized lattice constants are consistent with the Vegard law, and energies of doped systems become more lower as the increase of x concentration. A critical transition diagram from half-metallic to metallic characters is discussed. In addition, the magnetic interactions between p and d states are illustrated. Finally, magnetic moments are given as a function of x value, which implies that the Slater-Pauling rule is obeyed at low Cu content $(x ≤ 0.2)$.
- Źródło:
-
Acta Physica Polonica A; 2014, 126, 3; 795-797
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł