- Tytuł:
- Transition Metal Ions in Semiconductors: LDA, LDA+U, and Experiment
- Autorzy:
-
Zakrzewski, T.
Bogusławski, P. - Powiązania:
- https://bibliotekanauki.pl/articles/1385518.pdf
- Data publikacji:
- 2015-02
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.15.Mb
71.55.-i
71.55.Eq
75.50.Pp - Opis:
- Electronic structure of Cr, Mn, Fe, and Co transition metal (TM) ions in GaN and AlN was calculated within generalized gradient approximation and GGA+U. The +U term was considered as a free parameter with 0 < U < 5 eV. Comparison with available data for intracenter optical transitions for Fe and Mn shows that good agreement is obtained for values of U smaller than 1 eV.
- Źródło:
-
Acta Physica Polonica A; 2015, 127, 2; 321-323
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł