Carregant...
Carregant...

Vés al contingut (premeu Retorn)

Zero-temperature phase diagram of D2 physisorbed on graphane

Autor
Carbonell-Coronado, C.; De Soto, F.; Cazorla, C.; Boronat, J.; Gordillo, M. C.
Tipus d'activitat
Article en revista
Revista
Journal of physics: condensed matter
Data de publicació
2013-10-06
Volum
25
Número
44
Pàgina inicial
1
Pàgina final
6
DOI
10.1088/0953-8984/25/44/445011
Repositori
http://hdl.handle.net/2117/20842 Obrir en finestra nova
URL
http://iopscience.iop.org/0953-8984/25/44/445011/ Obrir en finestra nova
Resum
We determined the zero-temperature phase diagram of D2 physisorbed on graphane using the diffusion Monte Carlo method. The substrate used was C-graphane, an allotropic form of the compound that has been experimentally obtained through hydrogenation of graphene. We found that the ground state is the d phase, a commensurate structure observed experimentally when D2 is adsorbed on graphite, and not the registered structure characteristic of H2 on the same substrate. We determined the zero-temperatu...
Citació
Carbonell-Coronado, C. [et al.]. Zero-temperature phase diagram of D2 physisorbed on graphane. "Journal of physics: condensed matter", 06 Octubre 2013, vol. 25, núm. 44, p. 1-6.
Paraules clau
Allotropic Forms, Commensurate Structure, Diffusion Monte Carlo Method, Graphane, Physisorbed, Structure Characteristic, Zero Temperatures
Grup de recerca
FIPACOM - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants

  • Carbonell Coronado, Carmen  (autor)
  • De Soto Borrera, Feliciano Carlos  (autor)
  • Cazorla Silva, Claudio  (autor)
  • Boronat Medico, Jordi  (autor)
  • Gordillo Bargueño, Maria Carmen  (autor)