Title :
Band structure and thermoelectric properties of NaxCoO2
Author :
Zhao, G.J. ; Akai, K. ; Matsuura, M.
Author_Institution :
Dep. Phys., Inner Mongolia Univ., Hohhot
Abstract :
The electronic structure and thermoelectric properties of Nax CoO2 ware calculated by using a full-potential linearized augmented plane-wave (FLAPW) method with a generalized gradient approximation (GGA). The partial occupancy of Na ion was taken account by the virtual-crystal like approximation. The calculated density of states is good agreement with the XPS data. The thermoelectric power was calculated by using the results of the band structure calculation within the linearized Boltzmann equation. Energy dependence of a relaxation time was neglected. The calculated thermoelectric power of Na0.85CoO2 reproduced experimental results very well for the wide temperature range without any adjustable parameter
Keywords :
APW calculations; Boltzmann equation; band structure; cobalt compounds; electronic density of states; sodium compounds; thermoelectric power; Na0.85CoO2; X-ray photoelectron spectra; XPS data; band structure; density of states; electronic structure; full-potential linearized augmented plane-wave method; generalized gradient approximation; linearized Boltzmann equation; thermoelectric power; thermoelectric property; Boltzmann equation; Cobalt; Fluctuations; Land surface temperature; Magnetic field measurement; Physics; Spectroscopy; Superconductivity; Temperature distribution; Thermoelectricity;
Conference_Titel :
Thermoelectrics, 2006. ICT '06. 25th International Conference on
Conference_Location :
Vienna
Print_ISBN :
1-4244-0811-3
Electronic_ISBN :
1094-2734
DOI :
10.1109/ICT.2006.331388
