hide
Free keywords:
-
Abstract:
The 63 K phase transition of ZrTe3, has been followed through SQUID
magnetisation and neutron diffraction studies. The transition is
characterized by a small quenching of the magnetic susceptibility.
Contrary to the expectation that the structural transition is associated
with a charge density wave, the results of Rietveld refinements of high
resolution neutron powder diffraction profiles indicate that below the
phase transition the different bonding Te-Te contacts are more equal
rather than less. The results are examined with the help of band,
structure calculations on structures determined at three different
temperatures. The picture that emerges supports the view that
anion-cation redox competition plays a crucial role in determining not
only the structures of these compounds, but also the temperature
dependence thereof.