3He adsorbed on molecular hydrogen surfaces.

J Chem Phys

Departament de Física, Universitat Politècnica de Catalunya, Campus Nord B4-B5, 08034 Barcelona, Spain.

Published: August 2024

Using a diffusion Monte Carlo technique, we calculated the phase diagram of 3He adsorbed on a first solid layer of a molecular hydrogen isotope (H2, HD, and D2) on top of graphite. The results are qualitatively similar in all cases: a two-dimensional gas spanning from the infinite dilution limit to a second-layer helium density of 0.048 ± 0.004 Å-2. That gas is in equilibrium with a 7/12 commensurate structure, more stable than any incommensurate triangular solid of similar density. These findings are in reasonably good agreement with available experimental data.

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http://dx.doi.org/10.1063/5.0218136DOI Listing

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