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

By S. Sapra, D. Sarma. 2003

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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 A in diameter. A comparison with available experimental results from the literature shows an excellent agreement over the entire range of sizes.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/2b403f7c2bfe3315ff30daad26c19e61c148ce9c