Freezing of 4He and its liquid-solid interface from density functional theory


Autoria(s): Ancilotto, Francesco; Barranco Gómez, Manuel; Caupin, F.; Mayol Sánchez, Ricardo; Pi Pericay, Martí
Data(s)

28/12/2009

28/12/2009

2005

Resumo

We show that, at high densities, fully variational solutions of solidlike types can be obtained from a density functional formalism originally designed for liquid 4He . Motivated by this finding, we propose an extension of the method that accurately describes the solid phase and the freezing transition of liquid 4He at zero temperature. The density profile of the interface between liquid and the (0001) surface of the 4He crystal is also investigated, and its surface energy evaluated. The interfacial tension is found to be in semiquantitative agreement with experiments and with other microscopic calculations. This opens the possibility to use unbiased density functional (DF) methods to study highly nonhomogeneous systems, like 4He interacting with strongly attractive impurities and/or substrates, or the nucleation of the solid phase in the metastable liquid.

Formato

5 p.

application/pdf

Identificador

0163-1829

http://hdl.handle.net/2445/10553

538500

Idioma(s)

eng

Publicador

The American Physical Society

Relação

Reproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.72.214522

Physical Review B, 2005, vol. 72, núm. 21, p. 214522-1-214522-5

Direitos

(c) The American Physical Society, 2005

info:eu-repo/semantics/openAccess

Palavras-Chave #Líquids quàntics #Teoria del funcional de densitat #Heli #Equacions d'estat #Quantum fluids #Density functional theory #Helium #Equation of state
Tipo

info:eu-repo/semantics/article