The effect of strain on the thermodynamic properties of Ge-Si, Ge-Sn, Si-Sn, Si-C thin solid films

Abstract

Structural and thermodynamic properties of IV-IV solid solutions were calculated by molecular dynamics simulation. Biaxial strains are extremely important for the miscibility behavior of alloy films. It was shown the existence of critical thickness for the GexSi₁-x, Ge₁-xSnx, Si₁-xSnx, Si₁-xCx thin solid films. The results of the classical molecular dynamic simulations are in good agreement with experimental data and other ab-initio calculations. The effect of layer thickness have great influence on the miscibility gap.