Band structure and thermoelectric properties of NaxCoO2

Author

Zhao, G.J. ; Akai, K. ; Matsuura, M.

Author_Institution

Dep. Phys., Inner Mongolia Univ., Hohhot

fYear

2006

fDate

6-10 Aug. 2006

Firstpage

611

Lastpage

613

Abstract

The electronic structure and thermoelectric properties of Na_xCoO₂ 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 Na_0.85CoO₂ 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; Na_0.85CoO₂; 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;

fLanguage

English

Publisher

ieee

Conference_Titel

Thermoelectrics, 2006. ICT '06. 25th International Conference on

Conference_Location

Vienna

ISSN

1094-2734

Print_ISBN

1-4244-0811-3

Electronic_ISBN

1094-2734

Type

conf

DOI

10.1109/ICT.2006.331388

Filename

4133367