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Pair-state formation in a nanocrystal: a theoretical perspective

Published online by Cambridge University Press:  21 March 2011

J. F. Suyver ,
R. Meester ,
A. Meijerink  and
J. J. Kelly
J. F. Suyver*
Affiliation:
Debye Institute, Physics and Chemistry of Condensed Matter, Utrecht University, P. O. Box 80.000, 3508 TA Utrecht, The Netherlands.
R. Meester
Affiliation:
Division of Mathematics and Computer Science, Free University of Amsterdam, De Boelelaan 1081a, 1081 HV Amsterdam, The Netherlands.
A. Meijerink
Affiliation:
Debye Institute, Physics and Chemistry of Condensed Matter, Utrecht University, P. O. Box 80.000, 3508 TA Utrecht, The Netherlands.
J. J. Kelly
Affiliation:
Debye Institute, Physics and Chemistry of Condensed Matter, Utrecht University, P. O. Box 80.000, 3508 TA Utrecht, The Netherlands.
*
1 Corresponding author. Tel.: +31 - 30 - 253 2214; Fax: +31 - 30 - 253 2403; E-mail: j.f.suyver@phys.uu.nl
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Abstract

Simulations of dopant pair-state distributions are presented for zincblende nanocrystals with different radii and for different dopant fractions. The probability of finding at least one pair-state and the concentration of pair-states were calculated on the basis of a statistical average of 105 simulations per crystal size and dopant concentration. The distribution of nanocrystal lattice positions over the surface and the bulk of the crystal is computed. A mathematical description of the distributions, valid in any crystal lattice, is discussed. This removes the need for further simulations.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 676: Symposium Y – Synthesis, Functional Properties and Applications of Nanostructures , 2001 , Y6.8
Copyright
Copyright © Materials Research Society 2001

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References

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