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Structural Stability and Optical Properties of hexagonal and cubic CdSe Nanocrystals synthesized in MgO
Published online by Cambridge University Press: 01 February 2011
Abstract
We present a study of CdSe nanocrystals synthesized in MgO by precipitation of Cd and Se supersaturated solid solutions, created in MgO single crystals by ion implantation, in the temperature range between 300 °C and 1100 °C. For high-dose ion implantation, optical absorption spectroscopy revealed the presence of the ∼1.8 eV CdSe semiconductor band-edge. Small sized nanocrystals adopt the rocksalt instead of the wurtzite structure because the former fits better in the MgO matrix and results in lower interface energies. A better understanding of these structural changes and optical properties is obtained from ab-initio total energy calculations on wurtzite, zincblende and rocksalt CdSe using the VASP pseudopotential code. The calculated electronic band structures are compared of zincblende CdSe, a direct band-gap semiconductor, and rocksalt CdSe, which has an indirect optical band-gap.
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- Copyright © Materials Research Society 2005