1999
DOI: 10.1063/1.478431
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Abstract: We present a detailed study of the electronic properties of CdSe nanocrystals in the absence and presence of a dielectric medium. The electronic structure of the nanocrystal is modeled within the framework of the empirical pseudopotential method. We use a real-space grid representation of the wave function, and obtain the eigenvalues and eigenstates of the one-electron Hamiltonian using a slightly modified version of the filter-diagonalization method. The band gap, density of states, charge density, multipole … Show more

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Cited by 236 publications
(212 citation statements)
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References 106 publications
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“…To calculate the absorption spectrum of the nanorod subject to such a field, one requires as input the orbitals and orbital energies that were obtained from a screened pseudopotential approach (23,24). A real-space grid was used to represent the wave functions, and the filter-diagonalization method (25) was used to extract the states near the valence (conduction) band maximum (minimum).…”
Section: Resultsmentioning
confidence: 99%
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“…To calculate the absorption spectrum of the nanorod subject to such a field, one requires as input the orbitals and orbital energies that were obtained from a screened pseudopotential approach (23,24). A real-space grid was used to represent the wave functions, and the filter-diagonalization method (25) was used to extract the states near the valence (conduction) band maximum (minimum).…”
Section: Resultsmentioning
confidence: 99%
“…The electronic structure of the nanorods was described within the real-space screened pseudopotential method (23). The local screened pseudopotentials used in the results shown here were fitted to reproduce the experimental bulk band-gap and effective masses neglecting spin-orbit coupling.…”
Section: Methodsmentioning
confidence: 99%
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“…35 Consequently, the assumption of an infinite potential barrier at the semiconductor-nanostructure surface often employed in theoretical calculations is not completely valid, although a reasonable approximation. Figure 3b shows that our experimental ΔE g values compare closely to the predictions of SEPM and DFT-LDA-CPM calculations, suggesting that we have successfully extracted the positions of the first excitonic features, and thus properly measured the band gaps, in the InP quantum wires.…”
Section: Discussionmentioning
confidence: 99%
“…The semiempirical approach has been successfully applied to calculate the quasi-particle spectrum of semiconducting nanocrystals of various sizes and shapes. 111,113,116,[118][119][120][121][122] In Eq.…”
Section: A Symplectic Eigenvalue Bethe-salpeter Equationmentioning
confidence: 99%