Ensemble Monte Carlo Simulation of Hole Transport in SiGe Alloys

This paper employs Ensemble Monte Carlo method to simulate transport of holes in SiGe alloys. A three-band model was employed to describe the valence band of these alloys. The nonparabolicity and the warping effect of the heavy-hole and light-hole bands were considered in their dispersion relation, while the split-off band was described as parabolic and spherical. We consider phonon and alloy disorder scattering in these calculations. The mobility of holes for a range of SiGe al-loys was calculated at 300K. The simulation mobility results agree with the experimental data, implying that the selected transport model for holes in SiGe alloys is adequate.

Gibbs-ensemble Monte Carlo simulation of H2–H2O mixtures

The miscibility gap in H2–H2O mixtures is investigated by conducting Gibbs-ensemble Monte Carlo simulations. Our results indicate that H2–H2O immiscibility regions may have a significant impact on the structure and evolution of ice giant planets.