Phys. Rev. B 69, 125304 (2004) [7 pages]

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

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Sameer Sapra and D. D. Sarma *
Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore-560012, India

Received 17 July 2003; published 8 March 2004

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.


©2004 The American Physical Society

URL: http://link.aps.org/abstract/PRB/v69/e125304
DOI: 10.1103/PhysRevB.69.125304
PACS: 73.22.-f, 78.67.Bf

* Also at Jawaharlal Nehru Center for Advanced Scientific Research, Bangalore and Center for Condensed Matter Theory, IISc. Electronic address: sarma@sscu.iisc.ernet.in

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