- Tytuł:
- Ab initio Calculations of Phonon Dispersion Relations in Aluminium
- Autorzy:
-
Scharoch, P.
Parliński, K.
Kiejna, A. - Powiązania:
- https://bibliotekanauki.pl/articles/2012957.pdf
- Data publikacji:
- 2000-02
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
63.20.-e
71.15.Nc - Opis:
- A direct method and ab initio force constants were used to calculate phonon dispersion curves and phonon density in Al. The force constants were determined from the Hellmann-Feynman forces induced by the displacement of an atom in the 2×2×2 fcc crystallographic supercell. This size of the supercell gives exact phonon frequencies at Γ, X, L, W points of the Brillouin zone. The calculated phonon dispersion curves are in good agreement with the experimental data.
- Źródło:
-
Acta Physica Polonica A; 2000, 97, 2; 349-354
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł