Journal
MATERIALS
Volume 14, Issue 15, Pages -Publisher
MDPI
DOI: 10.3390/ma14154157
Keywords
InP; incipient plasticity; phase transformation; molecular dynamics
Categories
Funding
- National Science Centre in Poland [2016/21/B/ST8/02737]
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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.
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.
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