Atomistic modeling of the thermophysical characteristics of silicon in the region of the semiconductor-metal phase transition

In the temperature range of the semiconductor-metal phase transition by means of molecular dynamic modeling (MDM), the equilibrium properties of crystalline and molten silicon are determined. The pressure dependences of the specific heat of melting and the equilibrium melting temperature, the temperature dependences of the density, the linear size of the sample, the coefficient of linear expansion, enthalpy, and heat capacity are determined. The obtained dependences of the properties of silicon are approximated by polynomials of low degrees. The results of the comparison of the obtained characteristics of silicon with experimental data show an acceptable qualitative and quantitative agreement. Numerical and graphical information on the obtained properties and results of comparison with experimental data are presented.