Divacancy superstructures and enhanced thermopower in NaxCayCoO2

DOI

Replacing Na ions in NaxCoO2 with divalent Ca ions results in the formation of ordered arrays of divacancy clusters, rather than the trivacancy clusters found for the pure compound at high x. Our previous experiment on SXD showed that Na0.7Ca0.1CoO2 adopts one of the superstructures with a low Coulombic ground state energy. We now wish to explore the ground states of the system doped with divalent Ca ions as a function of concentration in order to compare directly with theory. Doping with divalent ions results in a much lower hole concentration in the cobalt layers, and this is of fundamental interest since it will lead to new electronic and magnetic properties, and technological importance because it is expected to improve thermoelectric performance. We shall determine the ground states of NaxCayCoO2 with x+y=7/9, 11/13 and 13/15, where commensurate superstructures are predicted.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24076930
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24076930
Provenance
Creator Professor Jon Goff; Dr Uthayakumar Sivaperumal; Professor Alan Tennant; Mr Manoj Soundhira Pandiyan
Publisher ISIS Neutron and Muon Source
Publication Year 2013
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2009-09-22T08:05:07Z
Temporal Coverage End 2010-03-25T15:05:05Z