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- W803128930 abstract "We report a theoretical investigation of electronic properties of semiconductor InAs and GaAs nanocrystals. Our calculation scheme starts with the single particle calculation using atomistic tight-binding model including spin orbital interaction and d-orbitals. Then the exciton binding energies are calculated with screened Coulomb interaction. We study the role of surface passivation e ects by varying value of surface passivation potential. We compare results obtained with dot center positioned on di erent lattice sites thus containing di erent number of anion and cations. We conclude that passivation of surface states a ects signi cantly single particle energies and the value of electron hole Coulomb attraction. Interestingly, due to limited screening, the short-range (on-site) contribution to the electron hole Coulomb attraction plays signi cant role for small nanocrystals with radius smaller than 1 nm." @default.
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- W803128930 date "2012-08-01" @default.
- W803128930 modified "2023-09-26" @default.
- W803128930 title "Atomistic Calculation of Coulomb Interactions in Semiconductor Nanocrystals: Role of Surface Passivation and Composition Details" @default.
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- W803128930 doi "https://doi.org/10.12693/aphyspola.122.324" @default.
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