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Nano Lett. 2008 Sep;8(9):2913-9. doi: 10.1021/nl801737m. Epub 2008 Aug 13.

Electronic structure and spectroscopy of cadmium telluride quantum wires.

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  • 1Department of Chemistry and Center for Materials Innovation, Washington University, St. Louis, Missouri 63130-4899, USA.


The size-dependent electronic structure of CdTe quantum wires is determined by density functional theory using the local density approximation with band-corrected pseudopotential method. The results of the calculations are then used to assign the size-dependent absorption spectrum of colloidal CdTe quantum wires synthesized by the solution-liquid-solid mechanism. Quantitative agreement between experiment and theory is achieved. The absorption features comprise transitions involving the highest 25-30 valence-band states and lowest 15 conduction-band states. Individual transitions are not resolved; rather, the absorption features consist of clusters of transitions that are determined by the conduction-band energy-level spacings. The sequence, character, and spacing of the conduction-band states are strikingly consistent with the predictions of the simple effective-mass-approximation, particle-in-a-cylinder model. The model is used to calculate the size dependence of the electron effective mass in CdTe quantum wires.

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