Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 36, Issue 1-2, Pages 49-53Publisher
ELSEVIER
DOI: 10.1016/j.commatsci.2004.12.080
Keywords
thermoelectric materials; Seebeck coefficient; electronic band structure; polymers
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A computational method for the calculation of Seebeck coefficient of a crystalline solid based on the Boltzman transport theory is described. The method was found to give semi-quantitative results in comparison with experiments. Analysis of the theoretical results reveals characteristics in the band structure that Support high thermopower. It is proposed that organic polymers may be designed to satisfy these conditions. (c) 2005 Elsevier B.V. All rights reserved.
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