Theoretical Investigations and Comparisons of the Amorphous Structures of Adamantane-like Cluster Materials Utilizing Molecular Dynamics Simulations.

Cluster materials of the composition AdR (Ad = adamantane, R = organic substituent) and [(RT)E] (R = organic substituent; T = Si, Ge, Sn; and E = S, Se, Te) exhibit directional white light emission or produce second harmonics when irradiated with a continuous wave infrared laser source. The nature of the nonlinear optical properties correlates with the macroscopic structures of the cluster materials. The desired white light emission predominantly occurs in amorphous materials.