On Incipient Plasticity of InP Crystal: A Molecular Dynamics Study

With classical molecular dynamics simulations, we demonstrated that doping of the InP crystal with Zn and S atoms reduces the pressure of the B3 -> B1 phase transformation as well as inhibits the development of a dislocation structure. On this basis, we propose a method for determining the phenomenon that initiates nanoscale plasticity in semiconductors. When applied to the outcomes of nanoindentation experiments, it predicts the dislocation origin of the elastic-plastic transition in InP crystal and the phase transformation origin of GaAs incipient plasticity.

Automated summary

By conducting classical molecular dynamics simulations, it was demonstrated that doping the InP crystal with Zn and S atoms can lower the pressure of the B3 -> B1 phase transformation and inhibit the development of a dislocation structure. Based on this finding, a method for determining the nanoscale plasticity initiation in semiconductors was proposed, enabling the prediction of dislocation origin in the elastic-plastic transition of InP crystal and phase transformation origin of GaAs incipient plasticity.