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Internal Structure of Diamond Nanocrystals by Modeling and PDF Analysis

Published online by Cambridge University Press:  18 July 2013

S. Stelmakh ,
W. Palosz ,
S. Gierlotka ,
K. Skrobas  and
B. Palosz
S. Stelmakh
Affiliation:
Institute of High Pressure Physics PAS, ul. Sokolowska 29/37, 01-142 Warsaw, Poland
W. Palosz
Affiliation:
Brimrose Corporation, Sparks, Md 21152, USA
S. Gierlotka
Affiliation:
Institute of High Pressure Physics PAS, ul. Sokolowska 29/37, 01-142 Warsaw, Poland
K. Skrobas
Affiliation:
Institute of High Pressure Physics PAS, ul. Sokolowska 29/37, 01-142 Warsaw, Poland
B. Palosz
Affiliation:
Institute of High Pressure Physics PAS, ul. Sokolowska 29/37, 01-142 Warsaw, Poland
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Abstract

The structure of nanocrystalline diamond was approximated by spherical nanograins assuming that the grain core with a perfect crystal lattice is surrounded by a sequence of shells with (essentially) identical atomic architecture but with altered density. We call such a model a nanocrystal with density modulated waves. To examine the effect of density modulation present in nanograins, we built atomistic models of nanodiamond grains and compared the average values of inter-atomic distances calculated for the grains with density waves to those calculated for grains with the perfect, diamond crystal lattice. We show that the atomic structure of nanodiamond can be best described by a model where, between the inner core and the surface layer, three density waves with intermittent compressive and tensile strains exist. The sequence of the density waves is preserved in all examined nanodiamond samples without regard to chemical treatment and vacuum annealing (at up to 1200°C).

Keywords

nanostructureneutron scatteringdiamond
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1554: Symposium U – Measurements of Atomic Arrangements and Local Vibrations in Nanostructured Materials , 2013 , mrss13-1554-u03-03
Copyright
Copyright © Materials Research Society 2013 

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References

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