- Tytuł:
- Electronic Band Structures of $La_{2/3}Pb_{1/3}Mn_{2/3}(Fe,Co,Ni)_{1/3}O_{3}$
- Autorzy:
-
Kowalik, M.
Tokarz, W.
Kołodziejczyk, A. - Powiązania:
- https://bibliotekanauki.pl/articles/1385092.pdf
- Data publikacji:
- 2015-02
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.20.-b
71.55.Ak
72.80.Ga
75.47.Lx
79.60.-i - Opis:
- We present calculations of the electronic band structures of $La_{2/3}Pb_{1/3}Mn_{2/3}(Fe,Co,Ni)_{1/3}O_{3}$ colossal magneto-resistance manganites. The calculations are based on first-principles density functional theory with general gradient approximation GGA+U using WIEN2k package. The calculations show that electronic structures of these compounds consist mainly of Mn 3d, O 2p, and (Fe,Co,Ni) 3d states, which are hybridized over whole valence bands. Substitution Mn ion by Fe, Co, or Ni ions reduces the Mn and O contributions to the valence bands and weakens the double exchange interaction. The results are in good agreement with available experimental data.
- Źródło:
-
Acta Physica Polonica A; 2015, 127, 2; 251-253
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki