- Tytuł:
- Effect of Vacancies on Electronic and Magnetic Properties of Hydrogen Passivated Graphene Nanoribbons
- Autorzy:
-
Haffad, S.
Benchallal, L.
Lamiri, L.
Boubenider, F.
Zitoune, H.
Kahouadji, B.
Samah, M. - Powiązania:
- https://bibliotekanauki.pl/articles/1030793.pdf
- Data publikacji:
- 2018-05
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
DFT
vacancies
AGNR
magnetic
passivated
electronic
charge transfer
band structure - Opis:
- Using first-principles calculations we have demonstrated that electronic and magnetic properties of armchair graphene nanoribbons are modified by introducing vacancies defects. The equilibrium geometries, electronic, charge spin density distributions, electronic band structures, and magnetic moments were examined in the presence of vacancies. We have found that introducing vacancies into armchair graphene nanoribbons changes the spatial distribution of neighbor atoms, particularly those located around the vacancies. Our calculations showed that the vacancies have significant effect on the magnetization of armchair graphene nanoribbons. Magnetic moment values and electronic behavior in different configurations depend on the number of vacancies. These results suggest that vacancy defects can be used to modify the electronic and the magnetic properties of armchair graphene nanoribbons.
- Źródło:
-
Acta Physica Polonica A; 2018, 133, 5; 1307-1313
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł