Numéro
J. Phys. IV France
Volume 03, Numéro C2, Juillet 1993
International Workshop on Electronic Crystals
ECRYS - 93
Page(s) C2-89 - C2-96
DOI http://dx.doi.org/10.1051/jp4:1993218
International Workshop on Electronic Crystals
ECRYS - 93

J. Phys. IV France 03 (1993) C2-89-C2-96

DOI: 10.1051/jp4:1993218

Synchrotron radiation X-ray diffraction of modulated structures in charge-density-wave materials. Application to NbSe3

S. VAN SMAALEN1, J.L. DE BOER1 and P. COPPENS2

1  Laboratory of Chemical Physics, Materials Science Center, University of Groningen, Nijenborgh 4, 9747AG Groningen, The Netherlands
2  Department of Chemistry, State University of New York at Buffalo, Buffalo, NY 14214, U.S.A.


Abstract
Synchrotron radiation X-ray diffraction has been performed on niobium triselenide at 20K. The modulation parameters belonging to both Charge-Density-Waves (CDW's) have been determined. The high-temperature CDW is found to comprise of displacements on all atoms of column III, as well as on Se atoms of column II. Similarly, the low-temperature CDW resides on column I and also involves displacements of some Se(II). The structure is interpreted in terms of CDW's on Nb(III) and Nb(I), and elastic coupling between the atoms. The correlations between the atomic displacements are studied by analyzing the correlations between the varying interatomic distances. The atomic valences are discussed in the framework of the Bond-Valence method.



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