Doping Nanocrystals And The Role Of Quantum Confinement

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Date

2007-09

Authors

Chan, T. L.
Tiago, M. L.
Chelikowsky, J. R.

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Abstract

Recent progress in developing algorithms for solving the electronic structure problem for nanostructures is illustrated. Key ingredients in this approach include pseudopotentials implemented on a real space grid and the use of density functional theory. This procedure allows one to predict electronic properties for many materials across the nano-regime, i.e., from atoms to nanocrystals of sufficient size to replicate bulk properties. We will illustrate this method for doping silicon nanocrystals with phosphorous.

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Tzu‐Liang Chan, Murilo L. Tiago, and James R. Chelikowsky. AIP Conference Proceedings 931, 555 (Sep., 2007); doi: 10.1063/1.2799436