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Symmetry-changing commensurate-incommensurate solid transition in the ^sup 4^He monolayer on 6,6,12-graphyne
Ist Teil von
Physical review. B, 2019-01, Vol.99 (2), p.1
Ort / Verlag
College Park: American Physical Society
Erscheinungsjahr
2019
Link zum Volltext
Quelle
American Physical Society
Beschreibungen/Notizen
Path-integral Monte Carlo calculations have been carried out to investigate physical properties of a 4He monolayer adsorbed on a single 6,6,12-graphyne sheet, which is one of the graphyne families possessing a rectangular symmetry. To characterize elusive quantum phases of an adsorbed 4He monolayer on 6,6,12-graphyne, we model the 4He -graphyne interaction by the pairwise sum of empirical 4He − C interatomic potentials. At partially filled 4He coverages, we identify three commensurate solids of the C3/4, C4/4, and C6/4 structures from the two-dimensional density distribution. These solids show the rectangular symmetry inherited from the symmetry of 6,6,12-graphyne, which were confirmed with the analysis of their static structure factors. At high helium coverages near its completion, the 4He monolayer is predicted to exhibit a transition from a rectangular commensurate structure to a triangular incommensurate structure, after going through inhomogeneous structures mixed with domains of triangular and rectangular orderings. This symmetry-changing transition has not been observed in 4He monolayers adsorbed on other carbon substrates.