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Abstracts
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 effects by varying value of surface passivation potential. We compare results obtained with dot center positioned on different lattice sites thus containing different number of anion and cations. We conclude that passivation of surface states affects significantly 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 significant role for small nanocrystals with radius smaller than 1 nm.
Discipline
- 78.67.Bf: Nanocrystals, nanoparticles, and nanoclusters
- 78.67.Hc: Quantum dots
- 71.15.-m: Methods of electronic structure calculations(see also 31.15.-p Calculations and mathematical techniques in atomic and molecular physics; for electronic structure calculations of superconducting materials, see 74.20.Pq)
- 73.21.La: Quantum dots
- 73.20.Fz: Weak or Anderson localization
Journal
Year
Volume
Issue
Pages
324-328
Physical description
Dates
published
2012-08
Contributors
author
- Instytut Fizyki UMK, Grudziądzka 5, 87-100 Toruń, Poland
author
- Instytut Fizyki UMK, Grudziądzka 5, 87-100 Toruń, Poland
author
- Instytut Fizyki UMK, Grudziądzka 5, 87-100 Toruń, Poland
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv122n2p18kz