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Accurate calculation of single-electron states in Si nanocrystal embedded in SiO2

Tran The Trung
Organization: Vietnam Institute of Physics
Department: NCST
Nguyen Hong Quang
Organization: Vietnam Institute of Physics
Johann See
Organization: Institut d'Electronics Fondamental
Philippe Dolfus
Organization: Institut d'Electronics Fondamental
Revision date


We present an exact calculation of the single-electron energies and wave-functions for any bound state in a realistic Si-SiO2 spherical quantum dot, including the material dependence of the electron effective mass. The influence of dot radius, confinement barrier potential and barrier-to-dot electron mass ratio on the electronic structure is investigated in detail. The results show that the energy structure shifts down from some tens to some hundreds meV compared to that obtained in the simplified model where the change in effective mass is neglected. Our exact single-electron calculation is finally used to verify the accuracy of the results obtained from a numerical approximate method developed to treat many-electron systems.

Included in the distribution are: a scientific paper explaining the work in PDF, a Mathematica package for calculation of single-electron energy and wave function and a Mathematica notebook explaining the use of the package, which can serve as a help file.

*Science > Physics > Quantum Physics
*Science > Physics > Solid State Physics

Semiconductors, Nanostructures, Electronic states
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swsed.pdf (116.2 KB) - PDF Document
SWSED.m (24.2 KB) - Mathematica Package
SWSED.nb (1.2 MB) - Mathematica Notebook