Divacancy superstructures in thermoelectric calcium-doped sodium cobaltate

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 base...

Full description

Bibliographic Details
Main Authors: Porter, D, Roger, M, Gutmann, M, Uthayakumar, S, Prabhakaran, D, Boothroyd, A, Pandiyan, MS, Goff, J
Format: Journal article
Language:English
Published: American Physical Society 2014
Description
Summary: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. © 2014 American Physical Society.