Electronic properties of CdSe nanocrystals in the absence and presence of a dielectric medium

We present a detailed study of the electronic properties of CdSenanocrystals in the absence and presence of a dielectric medium

Eran Rabani; Balázs Hetényi; B. J. Berne; L. E. Brus

2002

Scholarcy highlights

  • We present a detailed study of the electronic properties of CdSenanocrystals 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
  • The band gap,density of states,charge density, multipole moments, and electronic polarizabilities are studied in detail for an isolated nanocrystal
  • We discuss the implications of the results for the long range electrostatic and dispersion interactions between two CdSenanocrystals
  • To study the effects of the surroundings we develop a self-consistent reaction field method consistent with the empirical pseudopotential method
  • The results show that the electronic properties of polar CdSenanocrystals are quite sensitive to the environment

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