- Tytuł:
- Studying Static, Dynamic and Transport Properties of Mg₃Bi₂
- Autorzy:
-
Kayadibi, F.
Günay, S.
Taşseven, Ç. - Powiązania:
- https://bibliotekanauki.pl/articles/1401914.pdf
- Data publikacji:
- 2015-09
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
83.10.Rs
34.20.Gj
66.30.H-
66.30.Fq
62.20.-x
65.40.-b - Opis:
- In this study, new potential parameters for Mg₃Bi₂ are proposed which is the Born-Mayer-Huggins type potential. Static, dynamic and transport properties are studied for this material from 300 K up to 1600 K with classical molecular dynamics simulation. Mechanical properties; like elastic constants ($C_{11}$, $C_{12}$, $C_{13}$, $C_{33}$, $C_{44}$), bulk modulus and shear modulus are found. All these data are compared with the limited number of experimental and first-principle studies. Our results give a good description of the Mg₃Bi₂ system: lattice constants, α → β transition temperature, melting temperature, diffusion coefficient, density and mechanical properties are promising.
- Źródło:
-
Acta Physica Polonica A; 2015, 128, 3; 440-446
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł