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
Contribuinte(s)

Universitat de Barcelona

Data(s)

04/05/2010

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.

Identificador

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

Idioma(s)

eng

Publicador

The American Physical Society

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