Electronic structure of rod-,arrow-,teardrop-shaped CdSe nanocrystals
Jingbo Li and Lin-Wang Wang
Keywords: electronic structure, nanocrystals, optical properties
One of the most exciting developments in nanoscience is the recent
capability of synthesising nanocrystals of different shapes,
for example, rod, arrow, tear-drop shaped nanocrystals of CdSe.
The shape and size of nanocrystals control their electronic structures
and optical properties. In this work, we use a plane-wave empirical
pseudopotential method to calculate the electronic structures
of surface-passivated CdSe nanocrystals with shapes of rod, arrow,
and tear-drop. We found the symmetries of the wave functions depend
sensitively on the shapes of the nanostructures. By changing the
length of a quantum rod, its electronic structure changes significantly,
from symmetric polarization to highly unsymmetric polarization.
The calculation also predicts strong polarization in optical
absorption spectra of arrow and tear-drop CdSe nanocrystals,
which could be verified by future experiments.
NSTI Nanotech 2003 Conference Technical Program Abstract