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
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.
|Uncontrolled Keywords:||QUANTUM DOTS; 1ST-PRINCIPLES CALCULATIONS; HYDROGENIC IMPURITY; PHOTOLUMINESCENCE; CRYSTALLITES; ENERGIES; STATES|
|Subjects:||Material Science > Functional and hybrid materials|
Physical Science > Nanoelectronics
|Deposited On:||16 Sep 2009 10:12|
|Last Modified:||16 Sep 2009 10:12|
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