Analysis of crystallization of GaAs/Si heterostructures by means of LPE

摘要

This work deals with an analysis of coupling energy of the interface atom layout on the possibilities of GaAs thin layers and Silicon substrates binding. A significant lattice mismatch between Si and A{sup}(III)B{sup}V crystals as well as a significant difference in sizes of atoms of adjoining structures frequently cause the instability of the interface on the stage of their mutual exposition during crystallisation from the liquid phase. The main aim of this work is to find such configurations of atoms near the interface, which minimise a value of the coupling energy. The authors present the model of interactions of atoms, based on the Morse potential and algorithm of numerical calculations of the interface total energy.