CoreShellShell, a quantum dot excitonic energy and charge density calculator
Data files
Sep 12, 2017 version files 312.68 KB
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Coreshellshell program.docx
29.61 KB
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coreshellshell.f
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css.in
52 B
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energies.txt
124 B
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exdens01.txt
34.50 KB
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exdens02.txt
34.50 KB
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exdens03.txt
34.50 KB
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exdens04.txt
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exdens05.txt
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exdens06.txt
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exdens07.txt
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exdens08.txt
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Abstract
This program calculates electron and hole charge distributions for a spherical semiconductor quantum dot that may have up to
three different materials in concentric shells (core-barrier-shell), each with different valence and/or conduction band potentials.
It calculates the four lowest s-type (zero angular momentum) electron wavefunctions and the eight lowest s-type hole
wavefunctions using the effective mass approximation particle in a sphere model. It then uses the excitons produced from these
pairs of single-particle wavefunctions as a basis set for a configuration interaction calculation of the electron-hole interaction
energy, resulting in final electron and hole densities and state energies.