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Doping of Si nanoparticles: the effect of oxidation

Carvalho, A, Oberg, S, Barroso, M, Rayson, MJ and Briddon, PR (2012) Doping of Si nanoparticles: the effect of oxidation Phys. Rev. B, 89.

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The preferred location of boron and phosphorus in oxidized free-standing Si nanoparticles was investigated using a first-principles density functional approach. The calculated formation energies indicate that P should segregate to the silicon core, whereas B is equally stable in the Si and SiO_2 regions. Our models thus suggest that, in contrast with nanocrystals with H-terminated surfaces, the efficiency of phosphorus incorporation in oxidized Si nanoparticles can be improved by thermal annealing.

Item Type: Article
Divisions : Surrey research (other units)
Authors :
Carvalho, A
Oberg, S
Barroso, M
Briddon, PR
Date : 3 July 2012
DOI : 10.1002/pssa.201200149
Uncontrolled Keywords : cond-mat.mtrl-sci, cond-mat.mtrl-sci, cond-mat.mes-hall
Related URLs :
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 13:03
Last Modified : 24 Jan 2020 23:20

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