4He adsorption on a H(2)-plated C20 molecular surface: the formation of helium buckyballs

We perform path-integral Monte Carlo calculations to study the adsorption of 4He atoms on a H2-plated C20 molecular surface. It is found that 32 H2 molecules form a complete solid layer on C20, where each H2 molecule is located either above one of the 12 pentagon centers or above one of the 20 carbon atoms. The angular density profiles of the first 4He layer on the (H2)32-C20 surface reveal different quantum states as the number of 4He atoms N varies. Especially, the helium layer exhibits an icosidodecahedron structure for N=30, where each 4He atom is located at one of the vertices of 20 corner-sharing triangles. While the 4He density peaks for N=60 constitute a truncated icosahedron with 12 pentagonal and 20 hexagonal faces, the additional atoms beyond N=60 are found to be placed at the hexagon centers of the truncated icosahedron to form a hexakis truncated icosahedron for N=80. The superfluid response of the 4He layer at a temperature of T=0.6 K is found to be completely quenched for N=30 and to be significantly suppressed for N=60 and 80, reflecting the formation of compact buckyball structures.