“Pudding mold”-type band as an origin of large thermopower in -type organic conductors
✍ Scribed by Hirohito Aizawa; Kazuhiko Kuroki; Harukazu Yoshino; Keizo Murata
- Book ID
- 104081462
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 252 KB
- Volume
- 405
- Category
- Article
- ISSN
- 0921-4526
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✦ Synopsis
We study the origin of the large thermopower in quasi-two-dimensional t-type organic conductor, tÀðEDOÀS; SÀDMEDTÀTTFÞ 2 ðAuBr 2 Þ 1 þ y (yr 0:875), from the view point of a ''pudding mold''-type band structure. We calculate the electronic band structure using an ab initio band calculation package, and obtain a tight binding model fit to the ab initio band structure. Using the model and Boltzmann's equation approach, we calculate the temperature dependence of the Seebeck coefficient. We conclude that the peculiar band structure is the origin of the large Seebeck coefficient and the appearance of the maximum value at a certain temperature.