- Tytuł:
- Structure and Energetics of Fragments of the Planar α and β Boron Sheets
- Autorzy:
-
Gonzalez Szwacki, N.
Tarkowski, T.
Majewski, J. - Powiązania:
- https://bibliotekanauki.pl/articles/1398547.pdf
- Data publikacji:
- 2016-01
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
61.46.-w
68.65.-k
73.22.-f - Opis:
- Large scale first principles calculations based on density functional theory and using hybrid exchange-correlation functionals have been performed in order to study the structural properties and the relative stability of fragments of the planar α and β boron sheets. Based on the considered structures, we show that, in contrast to the fragments of the α -sheet, all the fragments of the β -sheet, having more than ≈30 atoms, are fully planar regardless of their shape. We conclude that the β -sheet is the only planar boron sheet reported so far that retains planarity even if it is reduced to relatively small fragments.
- Źródło:
-
Acta Physica Polonica A; 2016, 129, 1a; A-148-A-149
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł