MONTE-CARLO SIMULATION OF A (111) DIAMOND FACE AROUND THE ROUGHENING TRANSITION

Monte Carlo simulations have been applied to study the roughening transition of the (111) solid-fluid interfaces of the diamond model, without a solid on solid condition. The following interface properties as a function of the temperature and array size have been calculated: Interface width, surface energy, heat capacity, step energy and the growth rate in dependence of the supersaturation. From all these measurements the estimated value for the roughening temperature was within five percent of the critical temperature of the hexagonal simple Ising model. © 1979.