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Abstract:
We have followed the evolution of the superconducting T-c on
intercalation of Li in ZrSe2 by means of magnetization studies at very
low temperatures. To interpret the electronic structure and
instabilities, we present the results of extensive LMTO-ASA band
structure calculations on ZrSe2 and the idealized compound LiZrSe2. The
experimental results suggest a picture of phase segregation in the
intercalated samples into regions where Li atoms are a part of the
percolating cluster and regions where the Li are not. The electronic
structure calculations help to understand the nature of the bonding in
this system and in particular, the nature of instabilities on the Fermi
surface in the intercalated compounds. In keeping with certain models
for the occurrence of superconductivity in systems whose electronic
structures combine localized and itinerant behaviour, the title
compounds display regions of high and low dispersion in the Fermi
surface. A comparison with the superconducting spinel LiTi2O4 is
particularly fruitful.
