Effect of relaxation temperature on the growth quality of zinc-blende and wurtzite GaAs films

WW Tian and TH Gao and Q Chen and Q Xie, PHYSICA SCRIPTA, 100, 075977 (2025).

DOI: 10.1088/1402-4896/adde21

III-V type semiconductor gallium arsenide (GaAs) has been widely used in medical devices, circuit components, chip manufacturing, and other fields. GaAs will have high commercial value in the future development of new energy. In addition to the widely used zinc-blende-structured GaAs, wurtzite-structured GaAs has certain development prospects. This study uses the molecular dynamics simulation method to study the effect of relaxation temperature on the crystallization quality of polycrystalline GaAs. A solid-liquid GaAs model obtained after deposition was established to simulate growth, and the growth phenomenon of zinc-blende- and wurtzite-structured GaAs crystals at three relaxation temperatures of 1600 K, 1700 K, and 1800 K was simulated. The results show that increasing the relaxation temperature within a certain range eliminates the As8 structure that appears during the growth process, which increases the crystallization rate of GaAs crystals. Stacking fault energy was used to analyze surface defect phenomena. The calculating results indicate that zinc-blende stacking faults occur in crystals with very high or very low unstable stacking fault energy, while wurtzite stacking faults usually occur in crystals with low unstable stacking fault energy. In the 111 112 0001 crystal phases where stacking faults occur, the unstable stacking fault energy decreases as temperature increases and the occurrence probability of stacking faults decreases.

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