Creating mixed-phase states in cadmium sulfide by swift heavy ion irradiation

Abstract

CdS has broad applications in solar cells and radiation detectors. We study its response to irradiation with swift heavy ions and determine its damage thresholds. We apply a model combining the Monte Carlo code TREKIS-3 to simulate the kinetics of the electronic system and the molecular dynamics code LAMMPS to track the atomic reaction to the energy transfer. It is found that ion tracks in CdS differ between its zincblende and wurtzite phases in morphology and damage thresholds. The anisotropic wurtzite phase displays directional damage formation with transient hexagonal track shapes along the (001) plane. In contrast, zincblende CdS exhibits a more cylindrical damage distribution. High pressures near the ion path drive mass transport away from the melted region, forming cavities within the track core in the wurtzite phase. Although significant recrystallization is observed during post-irradiation relaxation, it does not fully restore the original phase: final tracks consist of the amorphous cores due to the low densities in this region and defect-containing crystalline halos. These findings suggest that ion irradiation could be used to create mixed-phase CdS-based materials.

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