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Professor David J. Singh The layered cobaltates NaxCoO2 and NaxCoO2
x yH2O are fascinating in the range of physical behavior
they show, ranging from ordered magnetism at high x, to high
thermoelectric performance at intermediate x to superconductivity
in the hydrated compounds. This talk overviews the properties of these
unusual materials from the point of view of electronic structure calculations.
What is revealed is a material that is on a knife’s edge in the
sense of having borderline instabilities in several channels, particularly
charge and spin channels at the same time.
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