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Published April 2009 | public
Journal Article

Influence of band structure on the large thermoelectric performance of lanthanum telluride

Abstract

We investigate the carrier density and temperature dependence of the Seebeck coefficient of La_(3−x)Te_4 via density-functional calculations and Boltzmann transport theory. The pertinent band structure has light bands at the band gap and heavy degenerate bands with band minima near energies corresponding to the experimentally determined optimum carrier density. Heavy bands increase the energy dependence of the density of states, which increases the magnitude of the Seebeck coefficient in an itinerant conduction regime, while the light bands provide a conduction channel that works against carrier localization promoted by La vacancies. The net result is thermoelectric performance greater than current n-type materials above 1000 K.

Additional Information

© 2009 The American Physical Society. Received 5 February 2009; published 1 April 2009. Work at ORNL was supported by the Department of Energy, EERE, Vehicle Technologies Program. The collection of experimental data and the subsequent analysis and calculations were performed at the Jet Propulsion Laboratory, California Institute of Technology under a contract with the National Aeronautics and Space Administration. PACS numbers: 72.15.Jf, 71.20.Nr, 71.15.Mb.

Additional details

Created:
August 21, 2023
Modified:
October 18, 2023