B. Kuchta et Rd. Etters, MELTING BEHAVIOR OF QUASI-2-DIMENSIONAL N-2 ADLAYERS DEPOSITED ON GRAPHITE, Physical review. B, Condensed matter, 54(17), 1996, pp. 12057-12066
The melting behavior of partial and complete Nz monolayers on graphite
is examined using a Monte Carlo procedure in conjunction with the mul
tiple histogram method. It is found that vacancies inherent in partial
monolayers, and those thermally induced by out-of-plane motion at or
near monolayer completion, are important factors in predicting the den
sity dependence of the melting temperature. Calculated at various surf
ace densities are the melting temperatures, specific heats, order para
meters, probability distributions for molecular positions and orientat
ions, and fluctuations in these quantities. With this information the
mechanism of the melting transition is elucidated, and the temperature
and density dependence of the specific heats and order parameters is
explained.