Web Release Date: February 16,
Symmetry Considerations in CdSe Nanocrystals
and
Center for Computational Materials, Institute for Computational Engineering and Sciences, Departments of Physics and Chemical Engineering, University of Texas, Austin, Texas 78712, and Department of Chemical Engineering and Materials and Department of Physics, University of Minnesota, Minneapolis, Minnesota 55455
Received December 20, 2005
Revised February 1, 2006
Abstract:
Semiconductor nanocrystals or quantum dots show a wide range of physical properties depending on their size or shape. In this paper, we show that symmetry is also an important characteristic that can lead to different electronic and optical properties. We use pseudopotential density-functional theory, within a real space approach, and address the sensitivity of electronic and optical properties with respect to the symmetry point groups associated to CdSe nanocrystals.
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