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Structural aspects of the metal-insulator transition in BaVS3

S. Fagot, P. Foury-Leylekian, S. Ravy, J. P. Pouget, M. Anne, G. Popov, M. V. Lobanov, M. Greenblatt

cond-mat.str-elarXiv:cond-mat/0410110

Abstract

A sequence of structural transitions occurring in the quasi-one-dimensional (1D) 3d1 system BaVS3 at low temperature was investigated by high resolution synchrotron X-ray diffraction. The orthorhombic Cmc21 structure of the intermediate-temperature (70K<T<240K) phase was confirmed. A model for the low-T (T<70K) k=(1 0 1/2)O superstructure (with Im symmetry) is proposed and refined. The formation of the superstructure is associated with the stabilization of a mixed bond order / charge density wave.

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