- Tytuł:
- First principles study of mechanical stability and thermodynamic properties of K₂S under pressure and temperature effect
- Autorzy:
-
Boufadi, F.
Bidai, K.
Ameri, M.
Bentouaf, A.
Bensaid, D.
Azzaz, Y.
Ameri, I. - Powiązania:
- https://bibliotekanauki.pl/articles/1070528.pdf
- Data publikacji:
- 2016-03
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
62.20.de
81.40.Jj
71.15.Ap
62.20.dj - Opis:
- First principles calculations on structural, elastic and thermodynamic properties of K₂S have been made using the full-potential augmented plane-waves plus local orbitals within density functional theory using generalized gradient approximation for exchange correlation potentials. The ground state lattice parameter, bulk moduli have been obtained. The second-order elastic constants, Young and shear modulus, Poisson ratio, have also been calculated. Calculated structural, elastic and other parameters are in good agreement with available data. The elastic constants and thermodynamic quantities under high pressure and temperature are also calculated and discussed.
- Źródło:
-
Acta Physica Polonica A; 2016, 129, 3; 315-322
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł