Artículo de revista
Melting curve of Si by means of the Z-method
Fecha
2018Registro en:
Journal of Physics: Conference Series, Volumen 1043, Issue 1, 2018
17426596
17426588
10.1088/1742-6596/1043/1/012038
Autor
González-Cataldo, Felipe
Corvacho, Fernando
Gutiérrez, Gonzalo
Institución
Resumen
The melting curve of silicon is investigated through classical molecular dynamics
simulations. We explore pressures from 0 to 20 GPa using the EDIP, Stillinger-Weber, and
Tersoff interactomic potentials. Using the Z method, we demonstrate that the predicted melting
temperature Tm can be significantly overestimated, depending on the potential chosen. Our
results show that none of the potentials explored is able to reproduce the experimental melting
curve of silicon by means of the Z-method. However, the EDIP potential does predict the change
in the Clapeyron slope, associated with the diamond to β-tin phase transition.