Chan, T. L. and Tiago, Murilo L. and Kaxiras, Efthimios and Cheikowsky, James R. (2008) Size limits on doping phosphorus into silicon nanocrystals. NANO LETTERS, 8 (2). pp. 596-600.
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Official URL: http://pubs.acs.org/doi/full/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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | QUANTUM DOTS; 1ST-PRINCIPLES CALCULATIONS; HYDROGENIC IMPURITY; PHOTOLUMINESCENCE; CRYSTALLITES; ENERGIES; STATES |
| Subjects: | Material Science > Functional and hybrid materials Physical Science > Nanoelectronics |
| ID Code: | 5969 |
| Deposited By: | IoN |
| Deposited On: | 16 Sep 2009 10:12 |
| Last Modified: | 16 Sep 2009 10:12 |
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