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Semiconductors have been potential materials for device grade applications due to their exceptional properties. In range of other compound semiconductors, II-VI's are such compound semiconducting materials having cations from the Group II and anions from Group VI of the periodic table. Keeping research and technological importance of these materials, density functional theory (DFT) based study of II-VI semiconducting nanoclusters was carried out and is described in this chapter.
Keywords: II-VI semiconductors, Density Functional Theory, Raman scattering.
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