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
TL;DR
This paper investigates the structural transitions in BaVS3 at low temperatures using synchrotron X-ray diffraction, revealing an orthorhombic phase and proposing a model for the low-temperature superstructure linked to bond order and charge density waves.
Contribution
It provides detailed structural analysis of BaVS3 transitions and introduces a refined model for the low-temperature superstructure with Im symmetry.
Findings
Confirmed orthorhombic Cmc21 structure in intermediate phase
Proposed and refined a model for the low-T superstructure
Linked superstructure formation to bond order and charge density waves
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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