Large Seebeck Coefficients of Fe2TiSn and Fe2TiSi: First-Principles Study

• DOI: 10.7567/apex.6.025504
• Publication Date: 2013-02-05T06:04:21Z
• Authors: Shin Yabuuchi; Masakuni Okamoto; Akinori Nishide; Yosuke Kurosaki; Jun Hayakawa
• Keywords: Figure of Merit

We systematically investigated the electronic structure of full-Heusler alloys with valence electron counts per formula unit 24 by using first-principles calculation. found various semiconducting flat bands at bottom conduction band. In terms low toxicity and cost, we focused on Fe2TiSn Fe2TiSi. that they could possess high thermoelectric power ranging from -300 to -160 µV/K electron-carrier concentrations 1×1020 1×1021 cm-3 around room temperature. Our results also suggest Fe2TiSn1-xSix alloy has a great potential realize higher figure-of-merit (ZT) value, compared conventional alloys.