Physics – Condensed Matter – Materials Science
Scientific paper
1997-05-07
Phys. Rev. B, v.56, R1650 (1997)
Physics
Condensed Matter
Materials Science
4 RevTeX pages (10pt), 3 embedded figures
Scientific paper
10.1103/PhysRevB.56.R1650
The thermoelectric properties of La-filled skutterudites are discussed from the point of view of their electronic structures. These are calculated from first principles within the local density approximation. The electronic structure is in turn used to determine transport related quantities. Virtual crystal calculations for La(Fe,Co)_4Sb_{12} show that the system obeys near rigid band behavior with varying Co concentration, and has a substantial band gap at a position corresponding to the composition LaFe_3% CoSb_{12}. The valence band maximum occurs at the $\Gamma$ point and is due to a singly degenerate dispersive band, which by itself would not be favorable for high thermopower. However, very flat transition metal derived bands occur in close proximity and become active as the doping level is increased, giving a non-trivial dependence of the properties on carrier concentration and explaining the favorable thermoelectric properties.
Mazin Igor I.
Singh David J.
No associations
LandOfFree
Calculated thermoelectric properties of La-filled skutterudites does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Calculated thermoelectric properties of La-filled skutterudites, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Calculated thermoelectric properties of La-filled skutterudites will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-399679