Pseudopotential calculations of nanoscale CdSe quantum dots.

نویسندگان

  • Wang
  • Zunger
چکیده

A plane-wave semiempirical pseudopotential method with nonlocal potentials and spin-orbit coupling is used to calculate the electronic structure of surface-passivated wurtzite CdSe quantum dots with up to 1000 atoms. The calculated optical absorption spectrum reproduces the features of the experimental results and the exciton energies agree to within ;0.1 eV over a range of dot sizes. The correct form of Coulomb interaction energy with size-dependent dielectric constant is found to be essential for such good agreement.

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عنوان ژورنال:
  • Physical review. B, Condensed matter

دوره 53 15  شماره 

صفحات  -

تاریخ انتشار 1996