- Tytuł:
- First Principles Study of Phonon Dispersion Curved for Yttrium Nitride
- Autorzy:
-
Yurdasan, N.
Gulebaglan, S.
Akyuz, G. - Powiązania:
- https://bibliotekanauki.pl/articles/1399824.pdf
- Data publikacji:
- 2013-02
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.15.Mb
63.20.K- - Opis:
- We present first-principles calculations of the structural and lattice-dynamical properties for cubic yttrium nitride. The ground state properties, such as the lattice constant and the bulk modulus, are calculated using a plane wave pseudopotential method within density functional theory. A linear-response approach to density functional theory is used to derive the phonon frequencies. In this work, we present plane-wave pseudopotential calculations within density functional theory and calculate the phonon frequencies for high symmetry points.
- Źródło:
-
Acta Physica Polonica A; 2013, 123, 2; 317-319
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł