- Tytuł:
- First-principle study of structural, elastic anisotropic, and thermodynamic properties of P4̅m2-BC₇
- Autorzy:
-
Zhang, Quan
Wei, Qun
Yan, Haiyan
Zhang, Zixia
Fan, Qingyang
Jia, Xiaofei
Zhang, Junqin
Zhang, Dongyun - Powiązania:
- https://bibliotekanauki.pl/articles/1070533.pdf
- Data publikacji:
- 2016-03
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.15.Mb
65.40.De
62.20.de - Opis:
- The structural, elastic anisotropy and thermodynamic properties of the P4̅m2-BC₇ are investigated using first-principles density functional calculations and the quasi-harmonic Debye model. The obtained structural parameters and elastic modulus are in consistency with the available theoretical data. Elastic constants calculations show that P4̅m2-BC₇ is elastic anisotropic. The bulk modulus as well as other thermodynamic quantities of P4̅m2-BC₇ (including the Grüneisen constant, heat capacity and thermal expansion) on temperatures and pressures have also been obtained.
- Źródło:
-
Acta Physica Polonica A; 2016, 129, 3; 329-333
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł