Time-dependent density-functional theory molecular-dynamics study on amorphization of Sc-Sb-Te alloy under optical excitation

Recently,all-optical memory and optical-computation properties of phase-change materials are receiving intensive attention.Because writing/erasing information in these devices is usually achieved by laser pulses,the interaction between the laser and the phase-change materials becomes a key issue for such new applications.In this work,by a time-dependent density-functional theory molecular-dynamics study,the physics underlying the optical excitation induced amorphization of Sc-Sb-Te is revealed,which goes back to superatom-like Sc-centered structural motifs.These motifs are found to be still robust under the excitation.