naa a22 4500 510801455 CHVBK 20180411083357.0 cr unu---uuuuu 180411e20130701xx s 000 0 eng 10.1007/s11664-013-2532-0 doi (NATIONALLICENCE)springer-10.1007/s11664-013-2532-0 Effect of Heavy Element Substitution and Off-Stoichiometric Composition on Thermoelectric Properties of Fe2VAl-Based Heusler Phase [Elektronische Daten] [Tsunehiro Takeuchi, Yuichi Terazawa, Yukihiro Furuta, Akio Yamamoto, Masashi Mikami] The thermoelectric performance of Fe2VAl-based alloys was improved by using the effects of (a) heavy element substitution and (b) off-stoichiometric (Fe/V≠2) composition. The former method led to a significant reduction of lattice thermal conductivity, whereas the latter to an evolution of the Seebeck coefficient. As a result of sample preparation, we confirmed that the dimensionless figure of merit with n-type behavior was increased up to 0.25 at 420K for the sample obtained at the optimized composition of Fe1.98V0.97Ta0.05Al0.9Si0.1. Electronic structure calculations revealed that the increase of the Seebeck coefficient observed for Fe-poor samples was caused by a reduction of the density of states near the chemical potential. TMS, 2013 Seebeck coefficient nationallicence lattice thermal conductivity nationallicence dimensionless figure of merit nationallicence first-principles calculations nationallicence Takeuchi Tsunehiro EcoTopia Science Institute, Nagoya University, 464-8603, Nagoya, Japan aut Terazawa Yuichi Department of Applied Physics, Nagoya University, 464-8603, Nagoya, Japan aut Furuta Yukihiro Department of Applied Physics, Nagoya University, 464-8603, Nagoya, Japan aut Yamamoto Akio Department of Crystalline Materials Science, Nagoya University, 464-8603, Nagoya, Japan aut Mikami Masashi National Institute of Advanced Industrial Science and Technology, 463-8560, Nagoya, Japan aut Journal of Electronic Materials Springer US; http://www.springer-ny.com 42/7(2013-07-01), 2084-2090 0361-5235 42:7<2084 2013 42 11664 https://doi.org/10.1007/s11664-013-2532-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s11664-013-2532-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Takeuchi Tsunehiro EcoTopia Science Institute, Nagoya University, 464-8603, Nagoya, Japan aut NATIONALLICENCE 700 1- Terazawa Yuichi Department of Applied Physics, Nagoya University, 464-8603, Nagoya, Japan aut NATIONALLICENCE 700 1- Furuta Yukihiro Department of Applied Physics, Nagoya University, 464-8603, Nagoya, Japan aut NATIONALLICENCE 700 1- Yamamoto Akio Department of Crystalline Materials Science, Nagoya University, 464-8603, Nagoya, Japan aut NATIONALLICENCE 700 1- Mikami Masashi National Institute of Advanced Industrial Science and Technology, 463-8560, Nagoya, Japan aut NATIONALLICENCE 773 0- Journal of Electronic Materials Springer US; http://www.springer-ny.com 42/7(2013-07-01), 2084-2090 0361-5235 42:7<2084 2013 42 11664 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer