Effects of threshold displacement energy on defect production by displacement cascades in α, β and γ-LiAlO2

Threshold displacement energy evaluation and a series of displacement cascade simulations in α, β, and γ-LiAlO2 were performed using molecular dynamics. Threshold displacement energy evaluations indicated that higher absolute ionic charge values and larger densities both increase threshold displacement energy. The displacement cascade simulations suggest that the influence of different crystal structures on the number of interstitial atoms generated in a displacement cascade is explainable almost entirely by the difference of the threshold displacement energy.