- Tytuł:
- On the Neglect of Local Coulomb Interaction on Oxygens in Perovskites Described by the Multiband d-p Model
- Autorzy:
-
Rościszewski, K.
Oleś, A. - Powiązania:
- https://bibliotekanauki.pl/articles/1029759.pdf
- Data publikacji:
- 2018-03
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.15.-m
75.25.Dk
75.47.Lx - Opis:
- On the example of TiO₄ layer (such as realized in Sr₂TiO₄) we study electronic structure of multiband d-p models describing transition metal perovskites. As suggested by experiment, the studied system is predicted to be a robust nonmagnetic insulator. A realistic treatment of electronic structure requires one to introduce non-zero Coulomb local interactions at 2p oxygen orbitals. However, up till now majority of papers based upon multiband models made an approximation of neglecting such interactions. We show that this simplification does not lead to serious problems in predictions of the electronic structure provided the Coulomb interactions at titanium ions and charge transfer gap are suitably renormalized (so they become entirely different with respect to the true microscopic d-p model parameters).
- Źródło:
-
Acta Physica Polonica A; 2018, 133, 3; 356-358
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł