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Impact of Ferroelectric Distortion on Thermopower in BaTiO3

We present a strategy for increasing thermoelectric performance by invoking ferroelectric distortion in a transition-metal oxide. By using an ab initio calculation approach with the Boltzmann transport equation, a large Seebeck coefficient is calculated in n-type BaTiO3. The polar structural distortion causes the peculiar dispersion of the lowest conduction band, which enhances the Seebeck coefficient along the polar direction. A microscopic mechanism of carrier concentration dependence of the Seebeck coefficient is discussed in terms of the band velocity distribution in the Brillouin zone.

preprint2015arXivOpen access
Hiroaki SaijoKunihiko YamauchiKoun ShiraiTamio Oguchi
cond-mat.mtrl-sci
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Open access4 authors1 topic
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Hiroaki SaijoKunihiko YamauchiKoun ShiraiTamio Oguchi

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