Browsing by Subject "si nanocrystals"
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Item Doping Nanocrystals And The Role Of Quantum Confinement(2007-09) Chan, T. L.; Tiago, M. L.; Chelikowsky, J. R.; Chan, Tzu‐Liang; Tiago, Murillo L.; Chelikowsky, James R.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.