Corrugated flat band as an origin of large thermopower in hole doped PtSb${}_2$

Abstract

The origin of the recently discovered large thermopower in hole-doped PtSb${}_2$ is theoretically analyzed based on a model constructed from first principles band calculation. It is found that the valence band dispersion has an overall flatness combined with some local ups and downs, which gives small Fermi surfaces scattered over the entire Brillouin zone. The Seebeck coefficient is calculated using this model, which gives good agreement with the experiment. We conclude that the good thermoelectric property originates from this "corrugated flat band", where the coexistence of large Seebeck coefficient and large electric conductivity is generally expected.

arXiv comment4 pages, 4 figures

References in corpus (5)

• Maximally-localized generalized Wannier functions for composite energy bands
• Maximally-localized Wannier functions for entangled energy bands
• Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
• "Pudding mold" band drives large thermopower in Na${}_x$CoO${}_2$
• Enhanced thermoelectric properties by Ir doping of PtSb2 with pyrite structure

Cited by in corpus (6)

• Large Seebeck effect in the electron-doped FeAs${}_2$ driven by quasi one dimensional pudding-mold type band
• Thermoelectric performance in electron and hole doped PtSb${}_2$
• Theoretical expectation of large Seebeck effect in PtAs${}_2$ and PtP${}_2$
• Enhancing high-temperature thermoelectric properties of PtAs2 by Rh doping
• Giant thermoelectric power factor anisotropy in PtSb${}_{1.4}$Sn${}_{0.6}$
• Pressure-induced exciton formation and superconductivity in platinum-based mineral Sperrylite