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Pseudopotential Study of CdTe Quantum Dots: Electronic and Optical Properties

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https://figshare.com/articles/dataset/Pseudopotential_Study_of_CdTe_Quantum_Dots_Electronic_and_Optical_Properties/8227124
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The present contribution reports on the electronic and optical properties of zinc-blende CdTe quantum dots using a pseudopotential approach. Our findings showed that the predicted nano-structured direct band gap is significantly increased relative to the bulk one. For a nanocrystal diameter in the range 1.2-5 nm, the refractive index and dielectric constant are found to be highly reduced relative the bulk values. Beyond a nanocrystal diameter of 5 nm, the size dependence of all features of interest becomes weak and tends towards retrieving the bulk value.
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2019-05-01
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