Hostname: page-component-6bf8c574d5-8gtf8 Total loading time: 0 Render date: 2025-02-22T08:09:29.024Z Has data issue: false hasContentIssue false
  • English
  • Français

Modulated Atomic Displacement Description and Easy Structural Factor Computing

Published online by Cambridge University Press:  21 February 2011

P. Wolfers
P. Wolfers*
Affiliation:
Laboratoire de Cristallographie, associé â l'U.S.M.G., C.N.R.S., 166 X, 38042 Grenoble Cédex, France
Get access

Abstract

The displacement of a particular atom in a modulated crystallographic structure can be described in terms of a Fourier Series. In the harmonic single wave vector approximation, the structure factor can be written as a function of the atomic displacement vectors. Such expressions are however not valid in the multi-wave-vector case. We propose a general description for the modulation of displacement where each scattering center (atom) is distributed on several sites whose population is modulated. In the paper, we will show that approach is well suited for computing. We have developed a general least squares program which has been applied to the modulated phase of αU(T < 43 K) [2].

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 21: Symposium GREECE – Phase Transformations in Solids , 1983 , 175
Copyright
Copyright © Materials Research Society 1984

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

[1] De Wolf, P.M. Acta Cryst. (1974), A30, 777 Google Scholar
[2] Marmeggi, J.C., Roudaut, E., Fruchart, D., Wolfers, P. Solid State Comm. (1983), 46, 4, 277 Google Scholar
[3] Janner, A., Janssen, T. Phys. Rev. (1977), B15, 643, 658 Google Scholar
[4] Janner, A., Janssen, T. Acta Cryst. (1980), A36, 399–408, 408–415 Google Scholar
[5] Yamamoto, A. Acta Cryst. (1982) A38, 87–92 Google Scholar
[6] Wolfers, P., Bacmann, M., Bertaut, E.F. J. De Physique (1971), 32, L1–859–860 Google Scholar
[7] Marmeggi, J.C., Delapalme, A., Lander, G.H., Vettier, C., Lehner, N. Solid State Comm. (1982) 43, 577 Google Scholar
[8] Wolfers, P. to be publishedGoogle Scholar