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Atomistic tight-binding theory of CdSe wurtzite nanocrystals


Paper Type 
Contributed Paper
Title 
Atomistic tight-binding theory of CdSe wurtzite nanocrystals
Author 
Akkaratch Sukerm [a] and Worasak Sukkabot* [a]
Email 
w.sukkabot@gmail.com
Abstract:

 We present a theoretical study on the electronic structures of CdSe wurtzite nanocrystals by means of the  tight-binding method and configuration interaction. Based on the single-particle states, several physical properties including density of states (DOS), band gaps, excitonic gaps and electron-hole coulomb interactions are mainly investigated. 

The observed calculations are mainly sensitive with sizes. The reduction of the single-particle and excitonic gaps is realized owing to the quantum confinement. In addition, the electron-hole coulomb energies are decreased with the increasing sizes. The calculated results are consistent with the other theoretical and experimental data. Finally, our studies elucidate and quantify the importance of sizes in determining the electronic properties of CdSe wurtzite nanocrystals which can aid to design for the further application.
Start & End Page 
990 - 995
Received Date 
2014-07-22
Revised Date 
Accepted Date 
2014-10-27
Full Text 
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Keyword 
Tight-binding calculations, CdSe, wurtzite, nanocrystal, exciton
Volume 
Vol.42 No.4 (OCTOBER 2015)
DOI 
Citation 
Sukerm A. and Sukkabot W., Atomistic tight-binding theory of CdSe wurtzite nanocrystals, Chiang Mai J. Sci., 2015; 42(4): 990-995.
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Chiang Mai Journal of Science

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