Molecular dynamics simulations of GaAs crystal growth under different strains br

YK Yuan and C Qian and TH Gad and YC Liang and X Quan and ZA Tian and Z Quan and L Fei, ACTA PHYSICA SINICA, 72, 136801 (2023).

DOI: 10.7498/ape.72.20221660

1 The high-quality growth of GaAz oryatala is extremely essential for the fabrication of high-performano high-frequency microwave electronic devices and light-enfitting devices. In this work, the molecular dynamic (MD) simulation is used to simulate the induced crystallisation of Gada crystal along the 110 orientation. The effects of strain on the growth process and defect formation are analyzed by the largest standard cluate analysis, the pair distribution function, and visualization analysis. The results indicate that the crystallization process of Gada crystal changes significantly under different strain conditions. At the initial stage, the oryata growth rate of the system decreases after a certain tengile atrain and a large compressive atrain have beer applied and the greater the strain, the lower the crystallization rate is. In addition, as the crystal grows, the ayatem forma a sigaag interface bounded by the 7111) facend the angle between the growth plane and the (111) facet affects the morphology of the solid-liquid interface and further affects the formation of twina. The larger the applied tensile strain and the smaller the angle, the more twin defects will form and the mon irregular they will be. At the same time, a large proportion of the dialocations in the system is associated with twina. The application of strain can either inhibit or promote the nucleation of dislocations, and under as appropriate amount of strain size, crystals without dialocations can even grow. The study of the microstructura evolution of GaAs on an atomic scale provides a reference for crystal growth theory.

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