Size Limits on Doping Phosphorus into Silicon Nanocrystals
- 23 December 2007
- journal article
- Published by American Chemical Society (ACS) in Nano Letters
- Vol. 8 (2), 596-600
- https://doi.org/10.1021/nl072997a
Abstract
We studied the electronic properties of phosphorus-doped silicon nanocrystals using the real-space first-principles pseudopotential method. We simulated nanocrystals with a diameter of up to 6 nm and made a direct comparison with experimental measurement for the first time for these systems. Our calculated size dependence of hyperfine splitting was in excellent agreement with experimental data. We also found a critical nanocrystal size below which we predicted that the dopant will be ejected to the surface.Keywords
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