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Evolution of the electronic structure with size in II-VI semiconductor nanocrystals

Sameer Sapra·D. D. Sarma
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Abstract

In order to provide a quantitatively accurate description of the band gap variation with sizes in various II-VI semiconductor nanocrystals, we make use of the recently reported tight-binding parametrization of the corresponding bulk systems. Using the same tight-binding scheme and parameters, we calculate the electronic structure of II-VI nanocrystals in real space with sizes ranging between 5 and 80 Å in diameter. A comparison with available experimental results from the literature shows an excellent agreement over the entire range of sizes.

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Sameer Sapra, D. D. Sarma. 2003-12-30. Evolution of the electronic structure with size in II-VI semiconductor nanocrystals. https://doi.org/10.1103/physrevb.69.125304

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