Discovering planar disorder in close-packed structures from x-ray diffraction:
Beyond the fault model
Dowman P. Varn
Santa Fe Institute
Department of Physics and Astronomy, University of Tennessee, Knoxville
Geoffrey S. Canright
Department of Physics and Astronomy, University of Tennessee, Knoxville
Telenor Research and Development
James P. Crutchfield
Santa Fe Institute
Abstract:
We solve a longstanding problem---determining structural information for disordered materials
from their diffraction spectra---for the case of planar disorder in close-packed structures (CPSs).
Our solution offers the most complete possible statistical description of the disorder, and,
from it, we find the minimum effective range for the interlayer interaction in CPSs. We also
compare our model of disorder with the so-called fault model (FM) and demonstrate that in simple
cases our approach reduces to the FM, but in cases that are more complex it provides a general and
more accurate structural description than the FM. We demonstrate our technique on two previously
published zinc sulphide diffraction spectra and find that the minimum effective interlayer-interaction
range is larger than that calculated from first principles.
A copy of this paper in pdf format:
Discovering planar disorder in close-packed structures from
x-ray diffraction: Beyond the fault model
Publisher's web site:
Physical Review B
Citation: D.P. Varn, G.S. Canright and J.P. Crutchfield, Phys. Rev. B. 66 (2002) 174110.
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