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We report the first principle theory-based study of stability, electronicstructure and optical properties of cluster assembled materials in various 1D,2D and 3D nanostructures using a cage-like Cd9Te9 cluster as the super-atom.The bulk 3D self-assemblies form in 2D stacked structures for different cubiclattices. The face centered stacking is the most stable as compared to thesimple cubic, body centered and zinc blende type stackings. The 2D stacks areformed as cluster assembled monolayers and the monolayer derived from the facecentered structure is most stable. Further, the cluster chains (or wires) withmore number of inter-cluster bonds are also seen to be dynamically stable. Theelectronic structure, bandgap, dielectric constant and absorption spectra alongwith the phonon dispersions are discussed for these self-assemblednanostructures.

Structural stability, electronic structure and optical properties of  dimension controlled self-assembled structures from clusters of cadmium  telluride