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Published version

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2005

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/10553

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

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http://dx.doi.org/10.1103/PhysRevB.72.214522

Abstract

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.

Subject

Líquids quàntics, Teoria del funcional de densitat, Heli, Equacions d'estat

Subject (English)

Quantum fluids, Density functional theory, Helium, Equations of state

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Articles publicats en revistes (Física Quàntica i Astrofísica)

Citation

ANCILOTTO, Francesco, et al. Freezing of 4He and its liquid-solid interface from density functional theory. Physical Review B. 2005. Vol. 72, num. 21, pags. 214522-1-214522-5. ISSN 0163-1829. [consulted: 11 of June of 2026]. Available at: https://hdl.handle.net/2445/10553

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