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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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Abstract

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
Authors :
NameEmailORCID
Carvalho, AUNSPECIFIEDUNSPECIFIED
Oberg, SUNSPECIFIEDUNSPECIFIED
Barroso, MUNSPECIFIEDUNSPECIFIED
Rayson, MJm.j.rayson@surrey.ac.ukUNSPECIFIED
Briddon, PRUNSPECIFIEDUNSPECIFIED
Date : 3 July 2012
Identification Number : https://doi.org/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 : 17 May 2017 13:03
URI: http://epubs.surrey.ac.uk/id/eprint/837752

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