Effect of surface corrugation on low temperature phases of adsorbed (p-H2)7: A quantum path integral Monte Carlo study

Abstract By using path integral Monte Carlo simulations coupled to Replica Exchange algorithms, various phases of (p-H 2 ) 7 physically adsorbed on a model graphite surface were identified at low temperatures. At T = 0.5 K , the expected superfluid phase was observed for flat and slightly corrugated surfaces. At intermediate and high corrugations, a “supersolid” phase in C 7/16 registry and a solid phase in C 1/3 registry were observed, respectively. At higher temperatures, the superfluid is converted to a fluid and the “supersolid” to a solid.