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Divacancy superstructures in thermoelectric calcium-doped sodium cobaltate

DOI: 10.1103/PhysRevB.90.054101 DOI Help

Authors: D. G. Porter (Department of Physics, Royal Holloway) , M. Roger (Service de Physique de l’Etat Condense) , Matthias Gutmann (Rutherford Appleton Laboratory) , S. Uthayakumar (Department of Physics, Royal Holloway) , D. Prabhakaran (4Department of Physics, University of Oxford) , Andrew Boothroyd (University of Oxford) , Manoj Pandiyan (Royal Holloway, University of London) , Jon Goff (Royal Holloway and Bedford New College)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review B , VOL 90 (5)

State: Published (Approved)
Published: August 2014
Diamond Proposal Number(s): 6310

Abstract: We have grown single crystals of NaxCayCoO2 and determined their superstructures as a function of composition using neutron and x-ray diffraction. Inclusion of Ca2+ stabilizes a single superstructure across a wide range of temperatures and concentrations. The superstructure in the Na+ layers is based on arrays of divacancy clusters with Ca2+ ions occupying the central site, and it has an ideal concentration Na4/7Ca1/7CoO2. Previous measurements of the thermoelectric properties on this system are discussed in light of this superstructure. Na4/7Ca1/7CoO2 corresponds to the maximum in thermoelectric performance of this system.

Subject Areas: Physics


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