2015/02/12 by Hiroaki Saijo, Kunihiko Yamauchi, Koun Shirai +1 · 4 citations
Engineering · Materials Science · Physics and Astronomy · #Advanced Thermoelectric Materials and Devices #Boltzmann constant #Brillouin zone #Distortion (music) #Electronic band structure #Ferroelectric and Negative Capacitance Devices #Ferroelectric and Piezoelectric Materials #Ferroelectricity #Polar #Seebeck coefficient #Thermoelectric effect #cond-mat.mtrl-sci
paper · pdf · doi:10.7566/jpsj.84.054701
published in Journal of the Physical Society of Japan 84(5), 054701 (Physical Society of Japan) · 6 pages, 6 figures, submitted to JPSJ
arxiv created 2015/02/12 · openalex publication_date 2015/04/02 · arxiv updated 2015/06/23 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
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.