- Tytuł:
- Electronic Structure of $PrCo_2Ge_2$
- Autorzy:
-
Diviš, M.
Vejpravová, J.
Rusz, J.
Prokleška, J.
Sechovský, V. - Powiązania:
- https://bibliotekanauki.pl/articles/1813659.pdf
- Data publikacji:
- 2008-01
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.15.Mb
71.70.Ch - Opis:
- The intermetallic compound $PrCo_2Ge_2$ exhibits very interesting physical properties: antiferromagnetism below $T_N$ = 28 K, an order to order transition at $T_R$ = 8 K, a rich magnetic phase diagram, and huge magnetocrystalline anisotropy as observed by recent experiments on a single crystal in a magnetic field up to 14 T. We performed first principles calculations based on the density functional theory. The localized $4f^2$ configuration of $Pr^{3+}$ was treated using the open core approximation. The electronic densities of states were obtained and the position of the Fermi level was found. The hybridization between the Co-3d, Pr-5d and Ge-4p states is discussed. The calculated magnetic moment of Co is found to be quite small $(m_{Co} < 0.1 μ_B)$. The first principles calculations of the crystal field interaction were performed as well: the obtained crystal field parameters were used as the starting parameters for further refinement in comparison with experimental data of the magnetic susceptibility and specific heat. The crystal field splitting of the 4f states was determined.
- Źródło:
-
Acta Physica Polonica A; 2008, 113, 1; 295-298
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł