Metallization and superconductivity in methane doped by beryllium at low pressure.
Phys Chem Chem Phys
; 22(3): 1069-1077, 2020 Jan 21.
Article
en En
| MEDLINE
| ID: mdl-31872838
ABSTRACT
As one of the simplest hydrocarbons, methane (CH4) has great potential in the research of superconductors. However, the metallization of CH4 has been an issue for a long time. Here, we report the structure, metallization, and superconductivity of CH4 doped by Be at low pressures, based on first-principles calculations. The result shows that the thermodynamically stable BeCH4 with P1[combining macron] space-group can transform into a metal at ambient pressure. This ternary hydride BeCH4 exhibits a superconductivity of â¼6 K below 25.6 GPa. Interestingly, the superconducting critical temperature of BeCH4 can reach â¼30 K at 80 GPa in the form of an a-P1 space-group phase. The charge transfer from Be to CH4 molecules plays an important role in the superconductivity. Our results present a novel way to realize the metallization of methane at relative pressures and indicate that the doped methane is a potential candidate for seeking high temperature and low pressure superconductivity.
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2020
Tipo del documento:
Article
País de afiliación:
China